1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone

C16H24N2O — CID 104613034

IUPAC1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(NC2CCCC(C)(C)C2)ccc1N
InChIInChI=1S/C16H24N2O/c1-11(19)14-9-12(6-7-15(14)17)18-13-5-4-8-16(2,3)10-13/h6-7,9,13,18H,4-5,8,10,17H2,1-3H3
InChIKeyFISWQJARPHLAST-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.85
Rot. Bonds3

About 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone

1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone (PubChem CID 104613034) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone
PubChem CID104613034
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(NC2CCCC(C)(C)C2)ccc1N
InChIInChI=1S/C16H24N2O/c1-11(19)14-9-12(6-7-15(14)17)18-13-5-4-8-16(2,3)10-13/h6-7,9,13,18H,4-5,8,10,17H2,1-3H3
InChIKeyFISWQJARPHLAST-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine
CID 106751041
1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone
CID 104613073
1-[2-amino-5-(oxolan-3-ylamino)phenyl]ethanone
CID 104613018
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
CID 104612930
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
3-amino-2-[(3,3-dimethylcyclohexyl)amino]benzoic acid
CID 112579341
1-[2-amino-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]phenyl]ethanone
CID 104612733
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
2-amino-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
5-[(4,4-dimethylcycloheptyl)amino]-2-fluorobenzoic acid
CID 65084402
2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
CID 65083154

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone (CID 104613034) is 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone is CC(=O)c1cc(NC2CCCC(C)(C)C2)ccc1N.
What is the InChIKey of 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone?
The InChIKey is FISWQJARPHLAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(19)14-9-12(6-7-15(14)17)18-13-5-4-8-16(2,3)10-13/h6-7,9,13,18H,4-5,8,10,17H2,1-3H3.
What are the key properties of 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone?
1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone is sourced from PubChem (CID 104613034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).