[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine

C16H25NO — CID 117371857

IUPAC[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
SMILESCCOc1ccc(C)cc1C1(CN)CCCCC1
InChIInChI=1S/C16H25NO/c1-3-18-15-8-7-13(2)11-14(15)16(12-17)9-5-4-6-10-16/h7-8,11H,3-6,9-10,12,17H2,1-2H3
InChIKeyULVXZRFJIPBYDC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds4

About [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine

[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine (PubChem CID 117371857) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
PubChem CID117371857
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
SMILESCCOc1ccc(C)cc1C1(CN)CCCCC1
InChIInChI=1S/C16H25NO/c1-3-18-15-8-7-13(2)11-14(15)16(12-17)9-5-4-6-10-16/h7-8,11H,3-6,9-10,12,17H2,1-2H3
InChIKeyULVXZRFJIPBYDC-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117313031
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine (CID 117371857) is [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine is CCOc1ccc(C)cc1C1(CN)CCCCC1.
What is the InChIKey of [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine?
The InChIKey is ULVXZRFJIPBYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-18-15-8-7-13(2)11-14(15)16(12-17)9-5-4-6-10-16/h7-8,11H,3-6,9-10,12,17H2,1-2H3.
What are the key properties of [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine?
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117371857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).