[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine

C16H19NO — CID 117355668

IUPAC[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
SMILESCOc1ccc2ccccc2c1C1(CN)CCC1
InChIInChI=1S/C16H19NO/c1-18-14-8-7-12-5-2-3-6-13(12)15(14)16(11-17)9-4-10-16/h2-3,5-8H,4,9-11,17H2,1H3
InChIKeyLBWQQQQGOJSUFP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.23
Rot. Bonds3

About [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine

[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine (PubChem CID 117355668) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
PubChem CID117355668
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
SMILESCOc1ccc2ccccc2c1C1(CN)CCC1
InChIInChI=1S/C16H19NO/c1-18-14-8-7-12-5-2-3-6-13(12)15(14)16(11-17)9-4-10-16/h2-3,5-8H,4,9-11,17H2,1H3
InChIKeyLBWQQQQGOJSUFP-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
CID 117399804
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117426781
1-(1-isocyanatocyclopentyl)-2-methoxynaphthalene
CID 117421791
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine (CID 117355668) is [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine is COc1ccc2ccccc2c1C1(CN)CCC1.
What is the InChIKey of [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine?
The InChIKey is LBWQQQQGOJSUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-14-8-7-12-5-2-3-6-13(12)15(14)16(11-17)9-4-10-16/h2-3,5-8H,4,9-11,17H2,1H3.
What are the key properties of [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine?
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117355668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).