2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine

C15H15Cl2NS — CID 63818247

IUPAC2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NS/c1-10-8-11(6-7-18)2-5-14(10)19-15-9-12(16)3-4-13(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyHKCFGKZQOTZEGR-UHFFFAOYSA-N
MW312.27 g/mol
LogP4.95
Rot. Bonds4

About 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine

2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine (PubChem CID 63818247) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
PubChem CID63818247
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC Name2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NS/c1-10-8-11(6-7-18)2-5-14(10)19-15-9-12(16)3-4-13(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyHKCFGKZQOTZEGR-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818816
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
CID 55238731
4-(2,5-dichlorophenyl)sulfanyl-3-methylbenzaldehyde
CID 55238761
3-chloro-4-(4-chloro-2-methylphenyl)sulfanylaniline
CID 10221452
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
2-(3-chloro-4-methylsulfanylphenyl)ethanamine
CID 81159751
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol
CID 63812756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine (CID 63818247) is 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine is Cc1cc(CCN)ccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine?
The InChIKey is HKCFGKZQOTZEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c1-10-8-11(6-7-18)2-5-14(10)19-15-9-12(16)3-4-13(15)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine?
2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine has a molecular weight of 312.27 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine is sourced from PubChem (CID 63818247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).