[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine

C16H25NO3 — CID 117448334

IUPAC[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(C2(CN)CCCC2)ccc(OC)c1OC
InChIInChI=1S/C16H25NO3/c1-18-10-12-13(16(11-17)8-4-5-9-16)6-7-14(19-2)15(12)20-3/h6-7H,4-5,8-11,17H2,1-3H3
InChIKeyVOUQONDUSCPBAV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.62
Rot. Bonds6

About [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine

[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117448334) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
PubChem CID117448334
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(C2(CN)CCCC2)ccc(OC)c1OC
InChIInChI=1S/C16H25NO3/c1-18-10-12-13(16(11-17)8-4-5-9-16)6-7-14(19-2)15(12)20-3/h6-7H,4-5,8-11,17H2,1-3H3
InChIKeyVOUQONDUSCPBAV-UHFFFAOYSA-N
XLogP2.62
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087

Frequently Asked Questions

What is the IUPAC name of [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine (CID 117448334) is [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine is COCc1c(C2(CN)CCCC2)ccc(OC)c1OC.
What is the InChIKey of [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is VOUQONDUSCPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-10-12-13(16(11-17)8-4-5-9-16)6-7-14(19-2)15(12)20-3/h6-7H,4-5,8-11,17H2,1-3H3.
What are the key properties of [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine?
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117448334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).