(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

C12H13BrClNOS — CID 171205925

IUPAC(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccsc2)cc1Br.Cl
InChIInChI=1S/C12H12BrNOS.ClH/c1-15-11-3-2-8(6-10(11)13)12(14)9-4-5-16-7-9;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyBWMWBGIYXIGQTN-YDALLXLXSA-N
MW334.67 g/mol
LogP3.99
Rot. Bonds3

About (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171205925) has the molecular formula C12H13BrClNOS and a molecular weight of 334.67 g/mol. Its IUPAC name is (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171205925
Molecular FormulaC12H13BrClNOS
Molecular Weight334.67 g/mol
Exact Mass332.96
IUPAC Name(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccsc2)cc1Br.Cl
InChIInChI=1S/C12H12BrNOS.ClH/c1-15-11-3-2-8(6-10(11)13)12(14)9-4-5-16-7-9;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyBWMWBGIYXIGQTN-YDALLXLXSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171205925) is (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is COc1ccc([C@H](N)c2ccsc2)cc1Br.Cl.
What is the InChIKey of (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is BWMWBGIYXIGQTN-YDALLXLXSA-N. The full InChI is InChI=1S/C12H12BrNOS.ClH/c1-15-11-3-2-8(6-10(11)13)12(14)9-4-5-16-7-9;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 334.67 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171205925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).