1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H29NO2 — CID 116809881

IUPAC1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(OC)c1C1(N)CC(C)CCC1C(C)C
InChIInChI=1S/C18H29NO2/c1-12(2)14-10-9-13(3)11-18(14,19)17-15(20-4)7-6-8-16(17)21-5/h6-8,12-14H,9-11,19H2,1-5H3
InChIKeyAWNLPMOIWFIDAM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 116809881) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID116809881
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(OC)c1C1(N)CC(C)CCC1C(C)C
InChIInChI=1S/C18H29NO2/c1-12(2)14-10-9-13(3)11-18(14,19)17-15(20-4)7-6-8-16(17)21-5/h6-8,12-14H,9-11,19H2,1-5H3
InChIKeyAWNLPMOIWFIDAM-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 60795197
5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine
CID 60795200
5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63407409
5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861215
5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine
CID 65099743
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 106880612
1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940
(1S,2S,5R)-1-[2-(3-methoxyphenyl)ethynyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 10850785
1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 61006030
1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63939381
5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine
CID 60924184
1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409211

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 116809881) is 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is COc1cccc(OC)c1C1(N)CC(C)CCC1C(C)C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is AWNLPMOIWFIDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)14-10-9-13(3)11-18(14,19)17-15(20-4)7-6-8-16(17)21-5/h6-8,12-14H,9-11,19H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 116809881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).