N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine

C15H15Cl2NS — CID 63807908

IUPACN-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Sc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NS/c1-2-18-10-13-14(17)7-4-8-15(13)19-12-6-3-5-11(16)9-12/h3-9,18H,2,10H2,1H3
InChIKeyGVMGMIYXLXRTLJ-UHFFFAOYSA-N
MW312.27 g/mol
LogP5.25
Rot. Bonds5

About N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine

N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 63807908) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID63807908
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC NameN-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Sc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NS/c1-2-18-10-13-14(17)7-4-8-15(13)19-12-6-3-5-11(16)9-12/h3-9,18H,2,10H2,1H3
InChIKeyGVMGMIYXLXRTLJ-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]ethanamine
CID 81159251
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
CID 107783297
N-[[2-chloro-6-(2,5-dichlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806289
2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
CID 63808921
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine
CID 63807560
N-[(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 63813282
N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]ethanamine
CID 55238285
N-[[2-(4-bromophenyl)sulfanyl-6-chlorophenyl]methyl]propan-1-amine
CID 63807977
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
methyl 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylacetate
CID 63807317

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine (CID 63807908) is N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1Sc1cccc(Cl)c1.
What is the InChIKey of N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is GVMGMIYXLXRTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c1-2-18-10-13-14(17)7-4-8-15(13)19-12-6-3-5-11(16)9-12/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine?
N-[[2-chloro-6-(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-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 63807908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).