[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine

C17H27NO — CID 117408720

IUPAC[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
SMILESCCC(CC)c1ccc(OC)c(C2(CN)CCC2)c1
InChIInChI=1S/C17H27NO/c1-4-13(5-2)14-7-8-16(19-3)15(11-14)17(12-18)9-6-10-17/h7-8,11,13H,4-6,9-10,12,18H2,1-3H3
InChIKeyDKNFCTIBEIFAJO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds6

About [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine

[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine (PubChem CID 117408720) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
PubChem CID117408720
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
SMILESCCC(CC)c1ccc(OC)c(C2(CN)CCC2)c1
InChIInChI=1S/C17H27NO/c1-4-13(5-2)14-7-8-16(19-3)15(11-14)17(12-18)9-6-10-17/h7-8,11,13H,4-6,9-10,12,18H2,1-3H3
InChIKeyDKNFCTIBEIFAJO-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine
CID 117371916
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
CID 117366355
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine (CID 117408720) is [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine is CCC(CC)c1ccc(OC)c(C2(CN)CCC2)c1.
What is the InChIKey of [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine?
The InChIKey is DKNFCTIBEIFAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13(5-2)14-7-8-16(19-3)15(11-14)17(12-18)9-6-10-17/h7-8,11,13H,4-6,9-10,12,18H2,1-3H3.
What are the key properties of [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine?
[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117408720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).