[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine

C15H16FNS — CID 43530216

IUPAC[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(CSCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNS/c16-15-8-13(9-17)6-7-14(15)11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2
InChIKeyKPIMILQDVIBEKW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.72
Rot. Bonds5

About [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine

[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine (PubChem CID 43530216) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine
PubChem CID43530216
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(CSCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNS/c16-15-8-13(9-17)6-7-14(15)11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2
InChIKeyKPIMILQDVIBEKW-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine
CID 55172896
[3-fluoro-4-(2-methylsulfonylethylsulfanylmethyl)phenyl]methanamine
CID 63659581
[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113
[4-(butan-2-ylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530004
[4-[(4-chlorophenyl)methylsulfanylmethyl]-3-methylphenyl]methanamine
CID 114790763
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine
CID 43530140
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
[2-fluoro-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107880544
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931

Frequently Asked Questions

What is the IUPAC name of [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine (CID 43530216) is [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine is NCc1ccc(CSCc2ccccc2)c(F)c1.
What is the InChIKey of [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine?
The InChIKey is KPIMILQDVIBEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c16-15-8-13(9-17)6-7-14(15)11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2.
What are the key properties of [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine?
[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 43530216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).