1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine

C15H24ClNS — CID 114200949

IUPAC1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
SMILESCC(C)CC(C)CC(N)CSc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNS/c1-11(2)7-12(3)8-14(17)10-18-15-6-4-5-13(16)9-15/h4-6,9,11-12,14H,7-8,10,17H2,1-3H3
InChIKeyYHBCXLBPQUMHSZ-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.83
Rot. Bonds7

About 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine

1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine (PubChem CID 114200949) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
PubChem CID114200949
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
SMILESCC(C)CC(C)CC(N)CSc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNS/c1-11(2)7-12(3)8-14(17)10-18-15-6-4-5-13(16)9-15/h4-6,9,11-12,14H,7-8,10,17H2,1-3H3
InChIKeyYHBCXLBPQUMHSZ-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)sulfanylhex-4-yn-2-amine
CID 66146631
4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
1-(3-chlorophenyl)sulfanyl-3-methylhexan-2-amine
CID 107896590
1-(3-chlorophenyl)sulfanylhex-5-yn-2-amine
CID 66148918
1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
1-(3-chlorophenyl)sulfanyl-5-methylsulfonylpentan-2-amine
CID 66146207
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine (CID 114200949) is 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine is CC(C)CC(C)CC(N)CSc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine?
The InChIKey is YHBCXLBPQUMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-11(2)7-12(3)8-14(17)10-18-15-6-4-5-13(16)9-15/h4-6,9,11-12,14H,7-8,10,17H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine?
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine has a molecular weight of 285.88 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine is sourced from PubChem (CID 114200949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).