(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride

C12H13ClFNS — CID 171201828

IUPAC(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cc(F)ccc1[C@H](N)c1cccs1.Cl
InChIInChI=1S/C12H12FNS.ClH/c1-8-7-9(13)4-5-10(8)12(14)11-3-2-6-15-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyAQPYOAFBWNTTKC-YDALLXLXSA-N
MW257.76 g/mol
LogP3.67
Rot. Bonds2

About (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride

(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171201828) has the molecular formula C12H13ClFNS and a molecular weight of 257.76 g/mol. Its IUPAC name is (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171201828
Molecular FormulaC12H13ClFNS
Molecular Weight257.76 g/mol
Exact Mass257.04
IUPAC Name(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cc(F)ccc1[C@H](N)c1cccs1.Cl
InChIInChI=1S/C12H12FNS.ClH/c1-8-7-9(13)4-5-10(8)12(14)11-3-2-6-15-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyAQPYOAFBWNTTKC-YDALLXLXSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-(4-fluoro-2-methylphenyl)-thiophen-2-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

(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 102763507
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171204986
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(S)-(5-fluoro-2-nitrophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171206029
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171201828) is (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride is Cc1cc(F)ccc1[C@H](N)c1cccs1.Cl.
What is the InChIKey of (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is AQPYOAFBWNTTKC-YDALLXLXSA-N. The full InChI is InChI=1S/C12H12FNS.ClH/c1-8-7-9(13)4-5-10(8)12(14)11-3-2-6-15-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171201828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).