1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine

C14H22ClNOS — CID 103035782

IUPAC1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CSc1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-14(2,17-3)9-8-11(16)10-18-13-7-5-4-6-12(13)15/h4-7,11H,8-10,16H2,1-3H3
InChIKeyNIHILYKMEDSKBI-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.96
Rot. Bonds7

About 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine

1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103035782) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103035782
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CSc1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-14(2,17-3)9-8-11(16)10-18-13-7-5-4-6-12(13)15/h4-7,11H,8-10,16H2,1-3H3
InChIKeyNIHILYKMEDSKBI-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66139564
[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine
CID 103026842
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-one
CID 103035352
1-(2-chlorophenyl)sulfanyl-3-methoxy-3-methylpentan-2-ol
CID 116779676
1-(2-chlorophenyl)sulfanylhex-4-yn-2-amine
CID 66142011
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 66139563
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
CID 103018095
[1-(3-chloro-2-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103445658
1-(2-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178847

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine (CID 103035782) is 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is NIHILYKMEDSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-14(2,17-3)9-8-11(16)10-18-13-7-5-4-6-12(13)15/h4-7,11H,8-10,16H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 287.86 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103035782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).