4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one

C16H23NO2 — CID 165167207

IUPAC4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one
SMILESCOc1ccc(CNC2CCC(=O)CC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-16(2)10-13(18)6-9-15(16)17-11-12-4-7-14(19-3)8-5-12/h4-5,7-8,15,17H,6,9-11H2,1-3H3
InChIKeyKNIVHQFICIXYGS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds4

About 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one

4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one (PubChem CID 165167207) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one
PubChem CID165167207
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one
SMILESCOc1ccc(CNC2CCC(=O)CC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-16(2)10-13(18)6-9-15(16)17-11-12-4-7-14(19-3)8-5-12/h4-5,7-8,15,17H,6,9-11H2,1-3H3
InChIKeyKNIVHQFICIXYGS-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
N-[(4-methoxyphenyl)methyl]-4,4-dimethylthian-3-amine
CID 79952105
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79860887
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one (CID 165167207) is 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one is COc1ccc(CNC2CCC(=O)CC2(C)C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one?
The InChIKey is KNIVHQFICIXYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)10-13(18)6-9-15(16)17-11-12-4-7-14(19-3)8-5-12/h4-5,7-8,15,17H,6,9-11H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one?
4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 165167207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).