2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine

C16H25NOS — CID 64651846

IUPAC2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
SMILESCC(C)CS(=O)C1CC(c2ccccc2)CCC1N
InChIInChI=1S/C16H25NOS/c1-12(2)11-19(18)16-10-14(8-9-15(16)17)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11,17H2,1-2H3
InChIKeyNQORIMHREMFUIH-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine

2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine (PubChem CID 64651846) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
PubChem CID64651846
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
SMILESCC(C)CS(=O)C1CC(c2ccccc2)CCC1N
InChIInChI=1S/C16H25NOS/c1-12(2)11-19(18)16-10-14(8-9-15(16)17)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11,17H2,1-2H3
InChIKeyNQORIMHREMFUIH-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
CID 64652860
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
CID 50989531
2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
CID 64651096
2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
CID 79481944
2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
CID 43293727
2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine
CID 63401099
4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727261
2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
CID 43100966
4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454495
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615
benzene;cyclopropylbenzene
CID 144638417
2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine
CID 64673532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine (CID 64651846) is 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine is CC(C)CS(=O)C1CC(c2ccccc2)CCC1N.
What is the InChIKey of 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
The InChIKey is NQORIMHREMFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12(2)11-19(18)16-10-14(8-9-15(16)17)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11,17H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 64651846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).