1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine

C18H22ClNS — CID 106867430

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C18H22ClNS/c1-3-20-16(13-21-17-7-5-4-6-8-17)12-15-10-9-14(2)11-18(15)19/h4-11,16,20H,3,12-13H2,1-2H3
InChIKeyARXGQZJCRDKHBA-UHFFFAOYSA-N
MW319.90 g/mol
LogP4.96
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine

1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine (PubChem CID 106867430) has the molecular formula C18H22ClNS and a molecular weight of 319.90 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
PubChem CID106867430
Molecular FormulaC18H22ClNS
Molecular Weight319.90 g/mol
Exact Mass319.12
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C18H22ClNS/c1-3-20-16(13-21-17-7-5-4-6-8-17)12-15-10-9-14(2)11-18(15)19/h4-11,16,20H,3,12-13H2,1-2H3
InChIKeyARXGQZJCRDKHBA-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.90
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine (CID 106867430) is 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine is CCNC(CSc1ccccc1)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is ARXGQZJCRDKHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNS/c1-3-20-16(13-21-17-7-5-4-6-8-17)12-15-10-9-14(2)11-18(15)19/h4-11,16,20H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 319.90 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 106867430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).