1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine

C15H24ClNS — CID 66144962

IUPAC1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
SMILESCCNC(CCC(C)C)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNS/c1-4-17-14(8-5-12(2)3)11-18-15-9-6-13(16)7-10-15/h6-7,9-10,12,14,17H,4-5,8,11H2,1-3H3
InChIKeyACNGRHWRVJNZJC-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.85
Rot. Bonds8

About 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine

1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine (PubChem CID 66144962) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
PubChem CID66144962
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
SMILESCCNC(CCC(C)C)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNS/c1-4-17-14(8-5-12(2)3)11-18-15-9-6-13(16)7-10-15/h6-7,9-10,12,14,17H,4-5,8,11H2,1-3H3
InChIKeyACNGRHWRVJNZJC-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

1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
1-(4-chlorophenyl)sulfanyl-N-ethylhept-6-yn-2-amine
CID 113374341
3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine
CID 66144184
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
1-(4-chlorophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66143217
1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
CID 66055914
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine (CID 66144962) is 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine is CCNC(CCC(C)C)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine?
The InChIKey is ACNGRHWRVJNZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-4-17-14(8-5-12(2)3)11-18-15-9-6-13(16)7-10-15/h6-7,9-10,12,14,17H,4-5,8,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine?
1-(4-chlorophenyl)sulfanyl-N-ethyl-5-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-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine is sourced from PubChem (CID 66144962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).