[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine

C16H25NO2 — CID 117413430

IUPAC[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
SMILESCCOc1cc(C2(CN)CCCC2)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-4-19-14-10-13(15(18-3)9-12(14)2)16(11-17)7-5-6-8-16/h9-10H,4-8,11,17H2,1-3H3
InChIKeySQHZFMGZJLDNQM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.17
Rot. Bonds5

About [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine

[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine (PubChem CID 117413430) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
PubChem CID117413430
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
SMILESCCOc1cc(C2(CN)CCCC2)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-4-19-14-10-13(15(18-3)9-12(14)2)16(11-17)7-5-6-8-16/h9-10H,4-8,11,17H2,1-3H3
InChIKeySQHZFMGZJLDNQM-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117472145
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine (CID 117413430) is [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine is CCOc1cc(C2(CN)CCCC2)c(OC)cc1C.
What is the InChIKey of [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine?
The InChIKey is SQHZFMGZJLDNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-14-10-13(15(18-3)9-12(14)2)16(11-17)7-5-6-8-16/h9-10H,4-8,11,17H2,1-3H3.
What are the key properties of [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine?
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117413430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).