N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine

C16H25NO2 — CID 2852810

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCCC2C)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-12-6-4-5-7-15(12)17-11-13-8-9-14(18-2)10-16(13)19-3/h8-10,12,15,17H,4-7,11H2,1-3H3
InChIKeyXQVGEFBUWFDHKZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 2852810) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID2852810
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCCC2C)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-12-6-4-5-7-15(12)17-11-13-8-9-14(18-2)10-16(13)19-3/h8-10,12,15,17H,4-7,11H2,1-3H3
InChIKeyXQVGEFBUWFDHKZ-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43082086
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
cis-(1R,2S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 743571
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
7-methoxy-3-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 864655
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8786326
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine (CID 2852810) is N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine is COc1ccc(CNC2CCCCC2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is XQVGEFBUWFDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-4-5-7-15(12)17-11-13-8-9-14(18-2)10-16(13)19-3/h8-10,12,15,17H,4-7,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 2852810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).