[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine

C18H23NO2 — CID 117459820

IUPAC[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
SMILESCOc1cccc2c(OC)c(C3(CN)CCCC3)ccc12
InChIInChI=1S/C18H23NO2/c1-20-16-7-5-6-14-13(16)8-9-15(17(14)21-2)18(12-19)10-3-4-11-18/h5-9H,3-4,10-12,19H2,1-2H3
InChIKeyQSWWOEBTSVQBKG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds4

About [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine

[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine (PubChem CID 117459820) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
PubChem CID117459820
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
SMILESCOc1cccc2c(OC)c(C3(CN)CCCC3)ccc12
InChIInChI=1S/C18H23NO2/c1-20-16-7-5-6-14-13(16)8-9-15(17(14)21-2)18(12-19)10-3-4-11-18/h5-9H,3-4,10-12,19H2,1-2H3
InChIKeyQSWWOEBTSVQBKG-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
CID 95432617
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901

Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine (CID 117459820) is [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine is COc1cccc2c(OC)c(C3(CN)CCCC3)ccc12.
What is the InChIKey of [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine?
The InChIKey is QSWWOEBTSVQBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-16-7-5-6-14-13(16)8-9-15(17(14)21-2)18(12-19)10-3-4-11-18/h5-9H,3-4,10-12,19H2,1-2H3.
What are the key properties of [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine?
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117459820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).