(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine

C17H27NO — CID 65391223

IUPAC(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1CCC(C)(C)CC1
InChIInChI=1S/C17H27NO/c1-12-5-6-15(19-4)14(11-12)16(18)13-7-9-17(2,3)10-8-13/h5-6,11,13,16H,7-10,18H2,1-4H3
InChIKeyGBAGQVZPOKOHKP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.22
Rot. Bonds3

About (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine

(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 65391223) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
PubChem CID65391223
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1CCC(C)(C)CC1
InChIInChI=1S/C17H27NO/c1-12-5-6-15(19-4)14(11-12)16(18)13-7-9-17(2,3)10-8-13/h5-6,11,13,16H,7-10,18H2,1-4H3
InChIKeyGBAGQVZPOKOHKP-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(2-methoxy-5-methylphenyl)-(1-methylcyclohexyl)methanamine
CID 106826973
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 65391424
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine (CID 65391223) is (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C)cc1C(N)C1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is GBAGQVZPOKOHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-5-6-15(19-4)14(11-12)16(18)13-7-9-17(2,3)10-8-13/h5-6,11,13,16H,7-10,18H2,1-4H3.
What are the key properties of (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine?
(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 65391223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).