[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine

C14H13ClFNS — CID 62645603

IUPAC[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(CSc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H13ClFNS/c15-12-2-1-3-13(7-12)18-9-11-5-4-10(8-17)6-14(11)16/h1-7H,8-9,17H2
InChIKeyNRAHANVKTLKAIQ-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.23
Rot. Bonds4

About [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine

[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine (PubChem CID 62645603) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
PubChem CID62645603
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(CSc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H13ClFNS/c15-12-2-1-3-13(7-12)18-9-11-5-4-10(8-17)6-14(11)16/h1-7H,8-9,17H2
InChIKeyNRAHANVKTLKAIQ-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114859715
4-bromo-1-[(3-chlorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 63458635
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 61242880
[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine
CID 43530140
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
4-chloro-1-[(3,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 91657414
1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
CID 82920301
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384743
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 114854003
1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 107884020

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine (CID 62645603) is [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine is NCc1ccc(CSc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
The InChIKey is NRAHANVKTLKAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c15-12-2-1-3-13(7-12)18-9-11-5-4-10(8-17)6-14(11)16/h1-7H,8-9,17H2.
What are the key properties of [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine has a molecular weight of 281.78 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 62645603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).