[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine

C15H23NO3 — CID 117417809

IUPAC[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(OC)c(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-11-6-7-12(18-2)14(19-3)13(11)15(10-16)8-4-5-9-15/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyAZMCDWNIFXBLFO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.48
Rot. Bonds5

About [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine

[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine (PubChem CID 117417809) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
PubChem CID117417809
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(OC)c(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-11-6-7-12(18-2)14(19-3)13(11)15(10-16)8-4-5-9-15/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyAZMCDWNIFXBLFO-UHFFFAOYSA-N
XLogP2.48
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
CID 117399804
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine (CID 117417809) is [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine is COc1ccc(OC)c(C2(CN)CCCC2)c1OC.
What is the InChIKey of [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine?
The InChIKey is AZMCDWNIFXBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-11-6-7-12(18-2)14(19-3)13(11)15(10-16)8-4-5-9-15/h6-7H,4-5,8-10,16H2,1-3H3.
What are the key properties of [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine?
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117417809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).