[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine

C16H23NO — CID 117365897

IUPAC[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)c2c1CCCC2
InChIInChI=1S/C16H23NO/c1-18-15-8-7-14(16(11-17)9-4-10-16)12-5-2-3-6-13(12)15/h7-8H,2-6,9-11,17H2,1H3
InChIKeyWBLSOYHXLXIXLE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds3

About [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine

[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine (PubChem CID 117365897) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
PubChem CID117365897
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)c2c1CCCC2
InChIInChI=1S/C16H23NO/c1-18-15-8-7-14(16(11-17)9-4-10-16)12-5-2-3-6-13(12)15/h7-8H,2-6,9-11,17H2,1H3
InChIKeyWBLSOYHXLXIXLE-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine (CID 117365897) is [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine is COc1ccc(C2(CN)CCC2)c2c1CCCC2.
What is the InChIKey of [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine?
The InChIKey is WBLSOYHXLXIXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-15-8-7-14(16(11-17)9-4-10-16)12-5-2-3-6-13(12)15/h7-8H,2-6,9-11,17H2,1H3.
What are the key properties of [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine?
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117365897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).