[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine

C15H23NO2 — CID 117377419

IUPAC[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(OC)cccc1C1(CN)CCCC1
InChIInChI=1S/C15H23NO2/c1-17-10-12-13(6-5-7-14(12)18-2)15(11-16)8-3-4-9-15/h5-7H,3-4,8-11,16H2,1-2H3
InChIKeyCPTAVHFODDRMOK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.61
Rot. Bonds5

About [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine

[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117377419) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
PubChem CID117377419
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(OC)cccc1C1(CN)CCCC1
InChIInChI=1S/C15H23NO2/c1-17-10-12-13(6-5-7-14(12)18-2)15(11-16)8-3-4-9-15/h5-7H,3-4,8-11,16H2,1-2H3
InChIKeyCPTAVHFODDRMOK-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-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117391291
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226

Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine (CID 117377419) is [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine is COCc1c(OC)cccc1C1(CN)CCCC1.
What is the InChIKey of [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is CPTAVHFODDRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-10-12-13(6-5-7-14(12)18-2)15(11-16)8-3-4-9-15/h5-7H,3-4,8-11,16H2,1-2H3.
What are the key properties of [1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
[1-[3-methoxy-2-(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-2-(methoxymethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117377419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).