2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine

C16H25NO — CID 81014088

IUPAC2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1CC1CC(C)(C)CCC1N
InChIInChI=1S/C16H25NO/c1-16(2)9-8-14(17)13(11-16)10-12-6-4-5-7-15(12)18-3/h4-7,13-14H,8-11,17H2,1-3H3
InChIKeyDJHNSKVGMDWYMD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine

2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 81014088) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID81014088
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1CC1CC(C)(C)CCC1N
InChIInChI=1S/C16H25NO/c1-16(2)9-8-14(17)13(11-16)10-12-6-4-5-7-15(12)18-3/h4-7,13-14H,8-11,17H2,1-3H3
InChIKeyDJHNSKVGMDWYMD-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014650
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 116811362
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 81014967
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 115032711
N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114545992
1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
CID 63473365
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 81014088) is 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine is COc1ccccc1CC1CC(C)(C)CCC1N.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is DJHNSKVGMDWYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)9-8-14(17)13(11-16)10-12-6-4-5-7-15(12)18-3/h4-7,13-14H,8-11,17H2,1-3H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81014088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).