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

C16H25NO2 — CID 79834775

IUPAC1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCCCC2(C)C)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-15(2)9-5-6-10-16(15,17)13-8-7-12(18-3)11-14(13)19-4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyHNVNZUYOXDABJQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds3

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

1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79834775) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79834775
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCCCC2(C)C)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-15(2)9-5-6-10-16(15,17)13-8-7-12(18-3)11-14(13)19-4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyHNVNZUYOXDABJQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine
CID 82389982
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
1-(2,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086707
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 82087623
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
CID 80562191
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331273
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
3-(2,4-dimethoxyphenyl)oxolan-3-ol
CID 63331455

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine (CID 79834775) is 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine is COc1ccc(C2(N)CCCCC2(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HNVNZUYOXDABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)9-5-6-10-16(15,17)13-8-7-12(18-3)11-14(13)19-4/h7-8,11H,5-6,9-10,17H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine?
1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79834775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).