2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine

C15H15Cl2NS — CID 103290890

IUPAC2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine
SMILESNCCc1ccc(SCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NS/c16-13-4-2-1-3-12(13)10-19-15-6-5-11(7-8-18)9-14(15)17/h1-6,9H,7-8,10,18H2
InChIKeyAXZPMVMTTJTCFB-UHFFFAOYSA-N
MW312.27 g/mol
LogP4.79
Rot. Bonds5

About 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine

2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine (PubChem CID 103290890) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine
PubChem CID103290890
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC Name2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine
SMILESNCCc1ccc(SCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NS/c16-13-4-2-1-3-12(13)10-19-15-6-5-11(7-8-18)9-14(15)17/h1-6,9H,7-8,10,18H2
InChIKeyAXZPMVMTTJTCFB-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylsulfanylphenyl)ethanamine
CID 81159751
3-chloro-4-[(2-chlorophenyl)methylsulfanyl]benzoic acid
CID 103290020
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
CID 103288502
1-[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]butan-2-amine
CID 103290913
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 103288569
[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine
CID 64620304
3-chloro-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]aniline
CID 43305087
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 103288661
2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide
CID 43305543

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine (CID 103290890) is 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine is NCCc1ccc(SCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine?
The InChIKey is AXZPMVMTTJTCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c16-13-4-2-1-3-12(13)10-19-15-6-5-11(7-8-18)9-14(15)17/h1-6,9H,7-8,10,18H2.
What are the key properties of 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine?
2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine has a molecular weight of 312.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 103290890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).