[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine

C15H23NO2 — CID 117377424

IUPAC[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1ccc(C2(CN)CCCC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-17-10-12-5-6-13(9-14(12)18-2)15(11-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyMIJKJGWZUORIJA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.61
Rot. Bonds5

About [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine

[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117377424) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
PubChem CID117377424
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1ccc(C2(CN)CCCC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-17-10-12-5-6-13(9-14(12)18-2)15(11-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyMIJKJGWZUORIJA-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117479545
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013

Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine (CID 117377424) is [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine is COCc1ccc(C2(CN)CCCC2)cc1OC.
What is the InChIKey of [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is MIJKJGWZUORIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-10-12-5-6-13(9-14(12)18-2)15(11-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10-11,16H2,1-2H3.
What are the key properties of [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117377424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).