[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine

C15H23NO — CID 117113157

IUPAC[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
SMILESCOCCCc1ccc(C2(CN)CCC2)cc1
InChIInChI=1S/C15H23NO/c1-17-11-2-4-13-5-7-14(8-6-13)15(12-16)9-3-10-15/h5-8H,2-4,9-12,16H2,1H3
InChIKeyYQKICOSNVKRURF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.65
Rot. Bonds6

About [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine

[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine (PubChem CID 117113157) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
PubChem CID117113157
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
SMILESCOCCCc1ccc(C2(CN)CCC2)cc1
InChIInChI=1S/C15H23NO/c1-17-11-2-4-13-5-7-14(8-6-13)15(12-16)9-3-10-15/h5-8H,2-4,9-12,16H2,1H3
InChIKeyYQKICOSNVKRURF-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine
CID 117377033
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
CID 117408640
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine
CID 95468614
[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
CID 117351233
[4-[1-(aminomethyl)cyclobutyl]phenyl] methanesulfonate
CID 117391535
1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117371859

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine (CID 117113157) is [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine is COCCCc1ccc(C2(CN)CCC2)cc1.
What is the InChIKey of [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine?
The InChIKey is YQKICOSNVKRURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-11-2-4-13-5-7-14(8-6-13)15(12-16)9-3-10-15/h5-8H,2-4,9-12,16H2,1H3.
What are the key properties of [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine?
[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117113157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).