N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine

C15H18FNOS — CID 102876507

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCCc1ccsc1CNCc1ccc(OC)cc1F
InChIInChI=1S/C15H18FNOS/c1-3-11-6-7-19-15(11)10-17-9-12-4-5-13(18-2)8-14(12)16/h4-8,17H,3,9-10H2,1-2H3
InChIKeyRSHLNNOHXLNJQC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.75
Rot. Bonds6

About N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 102876507) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID102876507
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCCc1ccsc1CNCc1ccc(OC)cc1F
InChIInChI=1S/C15H18FNOS/c1-3-11-6-7-19-15(11)10-17-9-12-4-5-13(18-2)8-14(12)16/h4-8,17H,3,9-10H2,1-2H3
InChIKeyRSHLNNOHXLNJQC-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103816354
2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
CID 102876604
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 102876575
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 113348876
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756513

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine (CID 102876507) is N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine is CCc1ccsc1CNCc1ccc(OC)cc1F.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is RSHLNNOHXLNJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-11-6-7-19-15(11)10-17-9-12-4-5-13(18-2)8-14(12)16/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 102876507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).