[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine

C14H12Cl2FNS — CID 107118876

IUPAC[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
SMILESNCc1cccc(CSc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C14H12Cl2FNS/c15-11-4-5-12(16)13(6-11)19-8-10-3-1-2-9(7-18)14(10)17/h1-6H,7-8,18H2
InChIKeyLWHFUDQLPHBULY-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.88
Rot. Bonds4

About [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine

[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine (PubChem CID 107118876) has the molecular formula C14H12Cl2FNS and a molecular weight of 316.23 g/mol. Its IUPAC name is [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
PubChem CID107118876
Molecular FormulaC14H12Cl2FNS
Molecular Weight316.23 g/mol
Exact Mass315.01
IUPAC Name[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
SMILESNCc1cccc(CSc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C14H12Cl2FNS/c15-11-4-5-12(16)13(6-11)19-8-10-3-1-2-9(7-18)14(10)17/h1-6H,7-8,18H2
InChIKeyLWHFUDQLPHBULY-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118927
2-[(2,5-dichlorophenyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 114014497
2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene
CID 55193000
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118906
3-bromo-2-[(2,5-dichlorophenyl)sulfanylmethyl]aniline
CID 43349828
[2-[(2,5-dichlorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353432
[3-[(4-bromophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118860
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
7-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260276
2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine
CID 79260247
3-[(4-chlorophenyl)sulfanylmethyl]-2-fluoroaniline
CID 107349747
2-[(2,5-dichlorophenyl)methylsulfanyl]-6-methylaniline
CID 79147096

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine (CID 107118876) is [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine is NCc1cccc(CSc2cc(Cl)ccc2Cl)c1F.
What is the InChIKey of [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
The InChIKey is LWHFUDQLPHBULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNS/c15-11-4-5-12(16)13(6-11)19-8-10-3-1-2-9(7-18)14(10)17/h1-6H,7-8,18H2.
What are the key properties of [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine has a molecular weight of 316.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107118876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).