1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C17H27NO — CID 60795197

IUPAC1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(C2(N)CC(C)CCC2C(C)C)c1
InChIInChI=1S/C17H27NO/c1-12(2)16-9-8-13(3)11-17(16,18)14-6-5-7-15(10-14)19-4/h5-7,10,12-13,16H,8-9,11,18H2,1-4H3
InChIKeyYKMLBPLPWYGWBK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds3

About 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 60795197) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID60795197
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(C2(N)CC(C)CCC2C(C)C)c1
InChIInChI=1S/C17H27NO/c1-12(2)16-9-8-13(3)11-17(16,18)14-6-5-7-15(10-14)19-4/h5-7,10,12-13,16H,8-9,11,18H2,1-4H3
InChIKeyYKMLBPLPWYGWBK-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 116809881
5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861215
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
(1S,2S,5R)-1-[2-(3-methoxyphenyl)ethynyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 10850785
5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63407409
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409211
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 106880612

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 60795197) is 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is COc1cccc(C2(N)CC(C)CCC2C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is YKMLBPLPWYGWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)16-9-8-13(3)11-17(16,18)14-6-5-7-15(10-14)19-4/h5-7,10,12-13,16H,8-9,11,18H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 60795197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).