2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine

C16H25NO — CID 20571903

IUPAC2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine
SMILESCNC1(C)CCCCC1(C)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO/c1-15(11-5-6-12-16(15,2)17-3)13-7-9-14(18-4)10-8-13/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyMSNKQTHELDGXFE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine

2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine (PubChem CID 20571903) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine
PubChem CID20571903
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine
SMILESCNC1(C)CCCCC1(C)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO/c1-15(11-5-6-12-16(15,2)17-3)13-7-9-14(18-4)10-8-13/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyMSNKQTHELDGXFE-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
CID 11252954
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)-4-methoxybenzene
CID 11063852
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 68730786
1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
CID 140897916
1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride
CID 71750128
[2-(4-methoxyphenyl)oxan-2-yl]silane
CID 123969847

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine (CID 20571903) is 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine is CNC1(C)CCCCC1(C)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine?
The InChIKey is MSNKQTHELDGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(11-5-6-12-16(15,2)17-3)13-7-9-14(18-4)10-8-13/h7-10,17H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine?
2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,1,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 20571903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).