[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine

C13H18ClN — CID 117321165

IUPAC[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
SMILESCCc1ccc(Cl)cc1C1(CN)CCC1
InChIInChI=1S/C13H18ClN/c1-2-10-4-5-11(14)8-12(10)13(9-15)6-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyZEZRBSRAEMKEFY-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.28
Rot. Bonds3

About [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine

[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine (PubChem CID 117321165) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
PubChem CID117321165
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
SMILESCCc1ccc(Cl)cc1C1(CN)CCC1
InChIInChI=1S/C13H18ClN/c1-2-10-4-5-11(14)8-12(10)13(9-15)6-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyZEZRBSRAEMKEFY-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117437284
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
CID 117423583
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine (CID 117321165) is [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine is CCc1ccc(Cl)cc1C1(CN)CCC1.
What is the InChIKey of [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine?
The InChIKey is ZEZRBSRAEMKEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-10-4-5-11(14)8-12(10)13(9-15)6-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine?
[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine has a molecular weight of 223.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117321165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).