1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine

C16H26ClNS — CID 83162227

IUPAC1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNS/c1-4-18-15(7-5-6-13(2)3)12-19-16-10-8-14(17)9-11-16/h8-11,13,15,18H,4-7,12H2,1-3H3
InChIKeyYDHPCZCBMSGHMB-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.24
Rot. Bonds9

About 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine

1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine (PubChem CID 83162227) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
PubChem CID83162227
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNS/c1-4-18-15(7-5-6-13(2)3)12-19-16-10-8-14(17)9-11-16/h8-11,13,15,18H,4-7,12H2,1-3H3
InChIKeyYDHPCZCBMSGHMB-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.91
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
1-(4-chlorophenyl)sulfanyl-N-ethylhept-6-yn-2-amine
CID 113374341
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
1-(4-chlorophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66143217
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine (CID 83162227) is 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine is CCNC(CCCC(C)C)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine?
The InChIKey is YDHPCZCBMSGHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-4-18-15(7-5-6-13(2)3)12-19-16-10-8-14(17)9-11-16/h8-11,13,15,18H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine?
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine has a molecular weight of 299.91 g/mol, XLogP of 5.24, 9 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-6-methylheptan-2-amine is sourced from PubChem (CID 83162227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).