N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine

C15H15Cl2NS — CID 81159251

IUPACN-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NS/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3
InChIKeyOWLZTGKICAHMQM-UHFFFAOYSA-N
MW312.27 g/mol
LogP5.25
Rot. Bonds5

About N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine

N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 81159251) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID81159251
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC NameN-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NS/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3
InChIKeyOWLZTGKICAHMQM-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 81160781
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160116
N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 63807908
N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159843
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine
CID 63807560
N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 55240767
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 81159693
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[[3-chloro-4-(2-nitrophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160174
N-[[3-[(3-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methyl]ethanamine
CID 64633313
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine (CID 81159251) is N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine is CCNCc1ccc(Sc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is OWLZTGKICAHMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 312.27 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 81159251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).