1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine

C14H22ClNS — CID 66139564

IUPAC1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)CSc1ccccc1Cl
InChIInChI=1S/C14H22ClNS/c1-14(2,3)9-8-11(16)10-17-13-7-5-4-6-12(13)15/h4-7,11H,8-10,16H2,1-3H3
InChIKeyUIRCTDUPLMQVCB-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.59
Rot. Bonds5

About 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine

1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine (PubChem CID 66139564) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
PubChem CID66139564
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)CSc1ccccc1Cl
InChIInChI=1S/C14H22ClNS/c1-14(2,3)9-8-11(16)10-17-13-7-5-4-6-12(13)15/h4-7,11H,8-10,16H2,1-3H3
InChIKeyUIRCTDUPLMQVCB-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035782
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
1-(2-chlorophenyl)sulfanylhex-4-yn-2-amine
CID 66142011
[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine
CID 103026842
1-(2-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178847
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-one
CID 66140142
1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 66140167
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66141801
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine (CID 66139564) is 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine is CC(C)(C)CCC(N)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine?
The InChIKey is UIRCTDUPLMQVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-14(2,3)9-8-11(16)10-17-13-7-5-4-6-12(13)15/h4-7,11H,8-10,16H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine?
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine has a molecular weight of 271.86 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 66139564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).