3-[2-(4-methylcyclohexyl)ethyl]aniline

C15H23N — CID 86029509

IUPAC3-[2-(4-methylcyclohexyl)ethyl]aniline
SMILESCC1CCC(CCc2cccc(N)c2)CC1
InChIInChI=1S/C15H23N/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-4,11-13H,5-10,16H2,1H3
InChIKeyMWBGLDSBFARKJJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.03
Rot. Bonds3

About 3-[2-(4-methylcyclohexyl)ethyl]aniline

3-[2-(4-methylcyclohexyl)ethyl]aniline (PubChem CID 86029509) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[2-(4-methylcyclohexyl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(4-methylcyclohexyl)ethyl]aniline
PubChem CID86029509
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-[2-(4-methylcyclohexyl)ethyl]aniline
SMILESCC1CCC(CCc2cccc(N)c2)CC1
InChIInChI=1S/C15H23N/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-4,11-13H,5-10,16H2,1H3
InChIKeyMWBGLDSBFARKJJ-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.03
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

3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]aniline
CID 159572210
3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
CID 115341883
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
CID 54167085
2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
CID 116577277
3-[2-(4-propylazepan-1-yl)ethyl]aniline
CID 65348196
ethane;3-propylaniline;vanadium
CID 143596420
CID 20632303
CID 20632303
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
3-pentylaniline
CID 19911390
3-[2-(dimethylamino)ethyl]aniline
CID 28720801

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]aniline?
The IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]aniline (CID 86029509) is 3-[2-(4-methylcyclohexyl)ethyl]aniline.
What is the SMILES notation for 3-[2-(4-methylcyclohexyl)ethyl]aniline?
The canonical SMILES for 3-[2-(4-methylcyclohexyl)ethyl]aniline is CC1CCC(CCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[2-(4-methylcyclohexyl)ethyl]aniline?
The InChIKey is MWBGLDSBFARKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-4,11-13H,5-10,16H2,1H3.
What are the key properties of 3-[2-(4-methylcyclohexyl)ethyl]aniline?
3-[2-(4-methylcyclohexyl)ethyl]aniline has a molecular weight of 217.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylcyclohexyl)ethyl]aniline is sourced from PubChem (CID 86029509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).