1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine

C15H24ClNS — CID 66141176

IUPAC1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(CSc1ccccc1Cl)CC(C)C
InChIInChI=1S/C15H24ClNS/c1-4-9-17-13(10-12(2)3)11-18-15-8-6-5-7-14(15)16/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyWFNTWJOGKQMOBD-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.85
Rot. Bonds8

About 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine

1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine (PubChem CID 66141176) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
PubChem CID66141176
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(CSc1ccccc1Cl)CC(C)C
InChIInChI=1S/C15H24ClNS/c1-4-9-17-13(10-12(2)3)11-18-15-8-6-5-7-14(15)16/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyWFNTWJOGKQMOBD-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-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83175758
1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83175659
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
N-[2-(2-chlorophenyl)sulfanyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 66140977
N-[2-(2-chlorophenyl)sulfanylethyl]pentan-3-amine
CID 62582624
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
4-(2-chlorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63035545
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine (CID 66141176) is 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine is CCCNC(CSc1ccccc1Cl)CC(C)C.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine?
The InChIKey is WFNTWJOGKQMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-4-9-17-13(10-12(2)3)11-18-15-8-6-5-7-14(15)16/h5-8,12-13,17H,4,9-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine?
1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-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-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 66141176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).