2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone

C15H21NO — CID 116577277

IUPAC2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H21NO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10,16H2,1H3
InChIKeyIHMPBCHZELTVOF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.21
Rot. Bonds3

About 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone

2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone (PubChem CID 116577277) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
PubChem CID116577277
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H21NO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10,16H2,1H3
InChIKeyIHMPBCHZELTVOF-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145405
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65424823
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
1-[3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]propan-2-one
CID 58145544

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone (CID 116577277) is 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone is CC1CCC(C(=O)Cc2cccc(N)c2)CC1.
What is the InChIKey of 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone?
The InChIKey is IHMPBCHZELTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10,16H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone?
2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone is sourced from PubChem (CID 116577277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).