2-[(1S,2S)-2-methylcyclohexyl]aniline

C13H19N — CID 124577862

IUPAC2-[(1S,2S)-2-methylcyclohexyl]aniline
SMILESC[C@H]1CCCC[C@@H]1c1ccccc1N
InChIInChI=1S/C13H19N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h4-5,8-11H,2-3,6-7,14H2,1H3/t10-,11-/m0/s1
InChIKeyAWOMMNJENIXHKL-QWRGUYRKSA-N
MW189.30 g/mol
LogP3.56
Rot. Bonds1

About 2-[(1S,2S)-2-methylcyclohexyl]aniline

2-[(1S,2S)-2-methylcyclohexyl]aniline (PubChem CID 124577862) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[(1S,2S)-2-methylcyclohexyl]aniline.

Molecular Properties

Compound Name2-[(1S,2S)-2-methylcyclohexyl]aniline
PubChem CID124577862
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-[(1S,2S)-2-methylcyclohexyl]aniline
SMILESC[C@H]1CCCC[C@@H]1c1ccccc1N
InChIInChI=1S/C13H19N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h4-5,8-11H,2-3,6-7,14H2,1H3/t10-,11-/m0/s1
InChIKeyAWOMMNJENIXHKL-QWRGUYRKSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449672
4-methyl-2-[(1R,2S)-2-methylcyclohexyl]aniline
CID 125449652
3-methyl-2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 125450180
1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene
CID 161276937
1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane
CID 163527973
(2-methylcyclopentyl)benzene
CID 12600454
2-[(1R)-2,2-dimethylcyclohexyl]aniline
CID 125449181
2-(3-methylcyclohexyl)aniline
CID 15340119
2-[(1S)-2,2-dimethylcyclohexyl]aniline
CID 125449178
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
2-(3-methyloxiran-2-yl)aniline
CID 163937160
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-methylcyclohexyl]aniline?
The IUPAC name of 2-[(1S,2S)-2-methylcyclohexyl]aniline (CID 124577862) is 2-[(1S,2S)-2-methylcyclohexyl]aniline.
What is the SMILES notation for 2-[(1S,2S)-2-methylcyclohexyl]aniline?
The canonical SMILES for 2-[(1S,2S)-2-methylcyclohexyl]aniline is C[C@H]1CCCC[C@@H]1c1ccccc1N.
What is the InChIKey of 2-[(1S,2S)-2-methylcyclohexyl]aniline?
The InChIKey is AWOMMNJENIXHKL-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h4-5,8-11H,2-3,6-7,14H2,1H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-methylcyclohexyl]aniline?
2-[(1S,2S)-2-methylcyclohexyl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-methylcyclohexyl]aniline is sourced from PubChem (CID 124577862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).