(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

C12H13Cl2NOS — CID 171211135

IUPAC(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1cc([C@H](N)c2cccs2)ccc1Cl.Cl
InChIInChI=1S/C12H12ClNOS.ClH/c1-15-10-7-8(4-5-9(10)13)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyPPSDYVKAERPOFL-YDALLXLXSA-N
MW290.22 g/mol
LogP3.88
Rot. Bonds3

About (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171211135) has the molecular formula C12H13Cl2NOS and a molecular weight of 290.22 g/mol. Its IUPAC name is (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171211135
Molecular FormulaC12H13Cl2NOS
Molecular Weight290.22 g/mol
Exact Mass289.01
IUPAC Name(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1cc([C@H](N)c2cccs2)ccc1Cl.Cl
InChIInChI=1S/C12H12ClNOS.ClH/c1-15-10-7-8(4-5-9(10)13)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyPPSDYVKAERPOFL-YDALLXLXSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171203101
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 171221826
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171214723
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171211135) is (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is COc1cc([C@H](N)c2cccs2)ccc1Cl.Cl.
What is the InChIKey of (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is PPSDYVKAERPOFL-YDALLXLXSA-N. The full InChI is InChI=1S/C12H12ClNOS.ClH/c1-15-10-7-8(4-5-9(10)13)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 290.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171211135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).