[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine

C15H23N — CID 117310098

IUPAC[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
SMILESCCc1cc(C)c(C)c(C2(CN)CCC2)c1
InChIInChI=1S/C15H23N/c1-4-13-8-11(2)12(3)14(9-13)15(10-16)6-5-7-15/h8-9H,4-7,10,16H2,1-3H3
InChIKeyDTQFXEZPMIJABT-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.25
Rot. Bonds3

About [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine

[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine (PubChem CID 117310098) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
PubChem CID117310098
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
SMILESCCc1cc(C)c(C)c(C2(CN)CCC2)c1
InChIInChI=1S/C15H23N/c1-4-13-8-11(2)12(3)14(9-13)15(10-16)6-5-7-15/h8-9H,4-7,10,16H2,1-3H3
InChIKeyDTQFXEZPMIJABT-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
methyl 3-[1-(aminomethyl)cyclohexyl]-4,5-dimethylbenzoate
CID 117440938
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol
CID 117293952
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine
CID 115009017
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine (CID 117310098) is [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine is CCc1cc(C)c(C)c(C2(CN)CCC2)c1.
What is the InChIKey of [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine?
The InChIKey is DTQFXEZPMIJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-13-8-11(2)12(3)14(9-13)15(10-16)6-5-7-15/h8-9H,4-7,10,16H2,1-3H3.
What are the key properties of [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine?
[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine has a molecular weight of 217.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117310098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).