(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

C13H16ClNO2S — CID 171199673

IUPAC(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1cc(OC)cc([C@H](N)c2ccsc2)c1.Cl
InChIInChI=1S/C13H15NO2S.ClH/c1-15-11-5-10(6-12(7-11)16-2)13(14)9-3-4-17-8-9;/h3-8,13H,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyCTLHDGBZGATLTQ-BTQNPOSSSA-N
MW285.80 g/mol
LogP3.24
Rot. Bonds4

About (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171199673) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171199673
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1cc(OC)cc([C@H](N)c2ccsc2)c1.Cl
InChIInChI=1S/C13H15NO2S.ClH/c1-15-11-5-10(6-12(7-11)16-2)13(14)9-3-4-17-8-9;/h3-8,13H,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyCTLHDGBZGATLTQ-BTQNPOSSSA-N
XLogP3.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-(3,5-dimethoxyphenyl)-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

(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171231254
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
2-[(R)-amino(thiophen-3-yl)methyl]-4-methoxyphenol;hydrochloride
CID 171222266
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
CID 171235478
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
[4-[(R)-amino(thiophen-3-yl)methyl]phenyl] acetate;hydrochloride
CID 171229424
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005

Frequently Asked Questions

What is the IUPAC name of (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171199673) is (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is COc1cc(OC)cc([C@H](N)c2ccsc2)c1.Cl.
What is the InChIKey of (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is CTLHDGBZGATLTQ-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H15NO2S.ClH/c1-15-11-5-10(6-12(7-11)16-2)13(14)9-3-4-17-8-9;/h3-8,13H,14H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171199673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).