1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C19H31NO — CID 63407807

IUPAC1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cc(C)ccc2OC)CC1
InChIInChI=1S/C19H31NO/c1-6-18(3,4)15-9-11-19(20,12-10-15)16-13-14(2)7-8-17(16)21-5/h7-8,13,15H,6,9-12,20H2,1-5H3
InChIKeyUYRNXBKENOPXTE-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.78
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63407807) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63407807
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cc(C)ccc2OC)CC1
InChIInChI=1S/C19H31NO/c1-6-18(3,4)15-9-11-19(20,12-10-15)16-13-14(2)7-8-17(16)21-5/h7-8,13,15H,6,9-12,20H2,1-5H3
InChIKeyUYRNXBKENOPXTE-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407771
1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407853
1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104514762
4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine
CID 66271811
1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406861
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol
CID 63406912
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756751
[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 79017649
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63407807) is 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)(c2cc(C)ccc2OC)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is UYRNXBKENOPXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-18(3,4)15-9-11-19(20,12-10-15)16-13-14(2)7-8-17(16)21-5/h7-8,13,15H,6,9-12,20H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63407807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).