[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine

C16H25NO2 — CID 43294041

IUPAC[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
SMILESCOc1cc(C)ccc1OC1CC(C)CCC1CN
InChIInChI=1S/C16H25NO2/c1-11-4-6-13(10-17)15(8-11)19-14-7-5-12(2)9-16(14)18-3/h5,7,9,11,13,15H,4,6,8,10,17H2,1-3H3
InChIKeyGFUWZUSRWJIBCA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.15
Rot. Bonds4

About [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine

[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine (PubChem CID 43294041) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
PubChem CID43294041
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
SMILESCOc1cc(C)ccc1OC1CC(C)CCC1CN
InChIInChI=1S/C16H25NO2/c1-11-4-6-13(10-17)15(8-11)19-14-7-5-12(2)9-16(14)18-3/h5,7,9,11,13,15H,4,6,8,10,17H2,1-3H3
InChIKeyGFUWZUSRWJIBCA-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
2-(4-ethyl-2-methoxyphenoxy)-4-methylcyclohexan-1-ol
CID 107667809
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine (CID 43294041) is [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine is COc1cc(C)ccc1OC1CC(C)CCC1CN.
What is the InChIKey of [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is GFUWZUSRWJIBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-4-6-13(10-17)15(8-11)19-14-7-5-12(2)9-16(14)18-3/h5,7,9,11,13,15H,4,6,8,10,17H2,1-3H3.
What are the key properties of [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine?
[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43294041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).