(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine

C13H14FNOS — CID 81283235

IUPAC(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)s2)ccc1F
InChIInChI=1S/C13H14FNOS/c1-8-3-6-12(17-8)13(15)9-4-5-10(14)11(7-9)16-2/h3-7,13H,15H2,1-2H3
InChIKeyRFVPPGAMFUMXPY-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.25
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine

(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 81283235) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID81283235
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)s2)ccc1F
InChIInChI=1S/C13H14FNOS/c1-8-3-6-12(17-8)13(15)9-4-5-10(14)11(7-9)16-2/h3-7,13H,15H2,1-2H3
InChIKeyRFVPPGAMFUMXPY-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine 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

(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 81284648
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474194
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288243
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine (CID 81283235) is (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine is COc1cc(C(N)c2ccc(C)s2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is RFVPPGAMFUMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-8-3-6-12(17-8)13(15)9-4-5-10(14)11(7-9)16-2/h3-7,13H,15H2,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 81283235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).