1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine

C15H24ClNS — CID 66141352

IUPAC1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(CSc1ccccc1Cl)CC(C)CC
InChIInChI=1S/C15H24ClNS/c1-4-12(3)10-13(17-5-2)11-18-15-9-7-6-8-14(15)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyVUQOGJUJYQZNLY-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.85
Rot. Bonds8

About 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine

1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine (PubChem CID 66141352) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
PubChem CID66141352
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(CSc1ccccc1Cl)CC(C)CC
InChIInChI=1S/C15H24ClNS/c1-4-12(3)10-13(17-5-2)11-18-15-9-7-6-8-14(15)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyVUQOGJUJYQZNLY-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
CID 66141176
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
N-[2-(2-chlorophenyl)sulfanylethyl]pentan-3-amine
CID 62582624
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine (CID 66141352) is 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine is CCNC(CSc1ccccc1Cl)CC(C)CC.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
The InChIKey is VUQOGJUJYQZNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-4-12(3)10-13(17-5-2)11-18-15-9-7-6-8-14(15)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine has a molecular weight of 285.88 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine is sourced from PubChem (CID 66141352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).