[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine

C18H27NO — CID 117436607

IUPAC[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
SMILESCc1cc(OCC2CCC2)c(C2(CN)CCC2)cc1C
InChIInChI=1S/C18H27NO/c1-13-9-16(18(12-19)7-4-8-18)17(10-14(13)2)20-11-15-5-3-6-15/h9-10,15H,3-8,11-12,19H2,1-2H3
InChIKeySRUJCSJEOXHKRQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.86
Rot. Bonds5

About [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine

[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine (PubChem CID 117436607) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
PubChem CID117436607
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
SMILESCc1cc(OCC2CCC2)c(C2(CN)CCC2)cc1C
InChIInChI=1S/C18H27NO/c1-13-9-16(18(12-19)7-4-8-18)17(10-14(13)2)20-11-15-5-3-6-15/h9-10,15H,3-8,11-12,19H2,1-2H3
InChIKeySRUJCSJEOXHKRQ-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid
CID 117466033
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
CID 117408754
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine
CID 117448998
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
CID 84792905
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine (CID 117436607) is [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine is Cc1cc(OCC2CCC2)c(C2(CN)CCC2)cc1C.
What is the InChIKey of [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine?
The InChIKey is SRUJCSJEOXHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-9-16(18(12-19)7-4-8-18)17(10-14(13)2)20-11-15-5-3-6-15/h9-10,15H,3-8,11-12,19H2,1-2H3.
What are the key properties of [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine?
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117436607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).