N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine

C26H37NO2 — CID 59163277

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine
SMILESCOc1ccc(CNCCC2(c3ccc(C)cc3)CCCC(C)(C)C2)cc1OC
InChIInChI=1S/C26H37NO2/c1-20-7-10-22(11-8-20)26(14-6-13-25(2,3)19-26)15-16-27-18-21-9-12-23(28-4)24(17-21)29-5/h7-12,17,27H,6,13-16,18-19H2,1-5H3
InChIKeyHRBMHARTOHHRFQ-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.03
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine

N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine (PubChem CID 59163277) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine
PubChem CID59163277
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine
SMILESCOc1ccc(CNCCC2(c3ccc(C)cc3)CCCC(C)(C)C2)cc1OC
InChIInChI=1S/C26H37NO2/c1-20-7-10-22(11-8-20)26(14-6-13-25(2,3)19-26)15-16-27-18-21-9-12-23(28-4)24(17-21)29-5/h7-12,17,27H,6,13-16,18-19H2,1-5H3
InChIKeyHRBMHARTOHHRFQ-UHFFFAOYSA-N
XLogP6.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R,4S)-2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine
CID 7369228
N'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4719473
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 68855286
2-[(3,4-dimethoxyphenyl)methyl]-1-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine
CID 111091586

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine (CID 59163277) is N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine is COc1ccc(CNCCC2(c3ccc(C)cc3)CCCC(C)(C)C2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine?
The InChIKey is HRBMHARTOHHRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-20-7-10-22(11-8-20)26(14-6-13-25(2,3)19-26)15-16-27-18-21-9-12-23(28-4)24(17-21)29-5/h7-12,17,27H,6,13-16,18-19H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine has a molecular weight of 395.59 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[3,3-dimethyl-1-(4-methylphenyl)cyclohexyl]ethanamine is sourced from PubChem (CID 59163277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).