| CAS Number | 1021233-79-3 |
| Catalog Number | AG019UC1 |
| Chemical Name | 2-(6,7-Dihydrothieno[3,2-c]pyridin-5(4h)-yl)-2-(4-isopropylphenyl)ethanamine |
| IUPAC Name | 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethanamine |
| InChI | InChI=1S/C18H24N2S/c1-13(2)14-3-5-15(6-4-14)17(11-19)20-9-7-18-16(12-20)8-10-21-18/h3-6,8,10,13,17H,7,9,11-12,19H2,1-2H3 |
| InChI Key | JWGZANXWSYSDOX-UHFFFAOYSA-N |
| MDL Number | MFCD11106777 |
| Molecular Formula | C18H24N2S |
| Molecular Weight | 300.4616 |
| SMILES | CC(C1=CC=C(C(N2CC3=C(SC=C3)CC2)CN)C=C1)C |
| Synonyms | 2-[4-(propan-2-yl)phenyl]-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine,
1021233-79-3,
2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(4-isopropylphenyl)ethanamine,
AC1Q1OKG,
CHEMBL3460933,
CTK7E3596,
AKOS000263393,
AKOS016900756,
MCULE-7858746682,
NE19080,
EN300-41209,
Z1245633168,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.464g/mol |
| Monoisotopic Mass | 300.166g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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