[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine

C14H21NO — CID 117312997

IUPAC[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-10-7-12(8-13(16-3)11(10)2)14(9-15)5-4-6-14/h7-8H,4-6,9,15H2,1-3H3
InChIKeyHVPIQWQPUHAJGH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.69
Rot. Bonds3

About [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine

[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine (PubChem CID 117312997) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
PubChem CID117312997
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-10-7-12(8-13(16-3)11(10)2)14(9-15)5-4-6-14/h7-8H,4-6,9,15H2,1-3H3
InChIKeyHVPIQWQPUHAJGH-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117408710
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117467251
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine (CID 117312997) is [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine is COc1cc(C2(CN)CCC2)cc(C)c1C.
What is the InChIKey of [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine?
The InChIKey is HVPIQWQPUHAJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-12(8-13(16-3)11(10)2)14(9-15)5-4-6-14/h7-8H,4-6,9,15H2,1-3H3.
What are the key properties of [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine?
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117312997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).