1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine

C16H25NS — CID 55019210

IUPAC1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(SC1CCCCC1)C(C)N
InChIInChI=1S/C16H25NS/c1-12-8-6-7-11-15(12)16(13(2)17)18-14-9-4-3-5-10-14/h6-8,11,13-14,16H,3-5,9-10,17H2,1-2H3
InChIKeyGCTFTGYJJBHSSZ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.45
Rot. Bonds4

About 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine

1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine (PubChem CID 55019210) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
PubChem CID55019210
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(SC1CCCCC1)C(C)N
InChIInChI=1S/C16H25NS/c1-12-8-6-7-11-15(12)16(13(2)17)18-14-9-4-3-5-10-14/h6-8,11,13-14,16H,3-5,9-10,17H2,1-2H3
InChIKeyGCTFTGYJJBHSSZ-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 63115022
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
CID 55176547
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019158
1-cyclohexylsulfanylethanamine
CID 22450260
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644
[cyclooctyl-(2-methylphenyl)methyl]hydrazine
CID 105254975
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine (CID 55019210) is 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(SC1CCCCC1)C(C)N.
What is the InChIKey of 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine?
The InChIKey is GCTFTGYJJBHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-12-8-6-7-11-15(12)16(13(2)17)18-14-9-4-3-5-10-14/h6-8,11,13-14,16H,3-5,9-10,17H2,1-2H3.
What are the key properties of 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine?
1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 55019210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).