2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine

C16H25NO2 — CID 116811362

IUPAC2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1cccc(OC)c1C1CC(C)(C)CCC1N
InChIInChI=1S/C16H25NO2/c1-16(2)9-8-12(17)11(10-16)15-13(18-3)6-5-7-14(15)19-4/h5-7,11-12H,8-10,17H2,1-4H3
InChIKeyHUDJXQFTERPION-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds3

About 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine

2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 116811362) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID116811362
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1cccc(OC)c1C1CC(C)(C)CCC1N
InChIInChI=1S/C16H25NO2/c1-16(2)9-8-12(17)11(10-16)15-13(18-3)6-5-7-14(15)19-4/h5-7,11-12H,8-10,17H2,1-4H3
InChIKeyHUDJXQFTERPION-UHFFFAOYSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 116811353
2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 81014545
2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014088
2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine
CID 107514706
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013823
2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine
CID 105396251
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837934
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538709

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine (CID 116811362) is 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine is COc1cccc(OC)c1C1CC(C)(C)CCC1N.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is HUDJXQFTERPION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)9-8-12(17)11(10-16)15-13(18-3)6-5-7-14(15)19-4/h5-7,11-12H,8-10,17H2,1-4H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 116811362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).