(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine

C16H25NO2 — CID 55120876

IUPAC(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2CCCC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-11-5-4-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h7-8,10-12,16H,4-6,9,17H2,1-3H3
InChIKeyJWAGPKLTWCCSAU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.53
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine

(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine (PubChem CID 55120876) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
PubChem CID55120876
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2CCCC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-11-5-4-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h7-8,10-12,16H,4-6,9,17H2,1-3H3
InChIKeyJWAGPKLTWCCSAU-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 81305445
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(1R,2S)-2-amino-1-cyclobutyl-2-(2,5-dimethoxyphenyl)ethanol
CID 171162371
1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127988
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
[(2,5-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233270
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine (CID 55120876) is (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine is COc1ccc(OC)c(C(N)C2CCCC(C)C2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine?
The InChIKey is JWAGPKLTWCCSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-5-4-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h7-8,10-12,16H,4-6,9,17H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine?
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 55120876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).