1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C13H14FNOS — CID 81284399

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccs2)ccc1F
InChIInChI=1S/C13H14FNOS/c1-16-13-7-10(4-5-12(13)14)8-15-9-11-3-2-6-17-11/h2-7,15H,8-9H2,1H3
InChIKeyUPHQWCRFDUVTET-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.19
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 81284399) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID81284399
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccs2)ccc1F
InChIInChI=1S/C13H14FNOS/c1-16-13-7-10(4-5-12(13)14)8-15-9-11-3-2-6-17-11/h2-7,15H,8-9H2,1H3
InChIKeyUPHQWCRFDUVTET-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290330
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290314
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17293810
1-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54850202
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4719377
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716133
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
1-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716154
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 81284399) is 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is COc1cc(CNCc2cccs2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is UPHQWCRFDUVTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-16-13-7-10(4-5-12(13)14)8-15-9-11-3-2-6-17-11/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 81284399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).