1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine

C17H27NO — CID 117408749

IUPAC1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1c(C)cc(C2(N)CCCCC2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-11-14(10-13(3)16(15)19-4)17(18)8-6-5-7-9-17/h10-12H,5-9,18H2,1-4H3
InChIKeyUXPHQRIDODPNDD-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.25
Rot. Bonds3

About 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine

1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 117408749) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID117408749
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1c(C)cc(C2(N)CCCCC2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-11-14(10-13(3)16(15)19-4)17(18)8-6-5-7-9-17/h10-12H,5-9,18H2,1-4H3
InChIKeyUXPHQRIDODPNDD-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296190
1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
CID 117476823
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine (CID 117408749) is 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine is COc1c(C)cc(C2(N)CCCCC2)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is UXPHQRIDODPNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15-11-14(10-13(3)16(15)19-4)17(18)8-6-5-7-9-17/h10-12H,5-9,18H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine?
1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117408749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).