N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine

C17H27NO2 — CID 64774950

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CC(C)CCC2C)cc1OC
InChIInChI=1S/C17H27NO2/c1-12-5-6-13(2)15(9-12)18-11-14-7-8-16(19-3)17(10-14)20-4/h7-8,10,12-13,15,18H,5-6,9,11H2,1-4H3
InChIKeySPHNNRQLMFNOKT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine

N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64774950) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64774950
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CC(C)CCC2C)cc1OC
InChIInChI=1S/C17H27NO2/c1-12-5-6-13(2)15(9-12)18-11-14-7-8-16(19-3)17(10-14)20-4/h7-8,10,12-13,15,18H,5-6,9,11H2,1-4H3
InChIKeySPHNNRQLMFNOKT-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994874
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397707
N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774535
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787523
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 64774950) is N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine is COc1ccc(CNC2CC(C)CCC2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is SPHNNRQLMFNOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-5-6-13(2)15(9-12)18-11-14-7-8-16(19-3)17(10-14)20-4/h7-8,10,12-13,15,18H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.62, 5 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]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).