N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine

C15H14ClF2NS — CID 63807560

IUPACN-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Sc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H14ClF2NS/c1-2-19-9-10-6-13(17)15(14(18)7-10)20-12-5-3-4-11(16)8-12/h3-8,19H,2,9H2,1H3
InChIKeySAZINSKVUWFZGU-UHFFFAOYSA-N
MW313.80 g/mol
LogP4.88
Rot. Bonds5

About N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine

N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 63807560) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine
PubChem CID63807560
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC NameN-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Sc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H14ClF2NS/c1-2-19-9-10-6-13(17)15(14(18)7-10)20-12-5-3-4-11(16)8-12/h3-8,19H,2,9H2,1H3
InChIKeySAZINSKVUWFZGU-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-difluoro-4-(3-methylphenyl)sulfanylphenyl]methyl]ethanamine
CID 63812673
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63808973
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159251
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
4-(3-chlorophenyl)sulfanyl-3,5-difluorobenzoic acid
CID 63537040
N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 63807908
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[3-[(3-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methyl]ethanamine
CID 64633313

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine (CID 63807560) is N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(Sc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is SAZINSKVUWFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c1-2-19-9-10-6-13(17)15(14(18)7-10)20-12-5-3-4-11(16)8-12/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 313.80 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63807560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).