1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine

C13H19N — CID 117281654

IUPAC1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine
SMILESCCc1ccc(C)c(C2(N)CCC2)c1
InChIInChI=1S/C13H19N/c1-3-11-6-5-10(2)12(9-11)13(14)7-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyTWPZFEBEAMYTGD-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.90
Rot. Bonds2

About 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine

1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine (PubChem CID 117281654) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine
PubChem CID117281654
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine
SMILESCCc1ccc(C)c(C2(N)CCC2)c1
InChIInChI=1S/C13H19N/c1-3-11-6-5-10(2)12(9-11)13(14)7-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyTWPZFEBEAMYTGD-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-ethyl-2-methylphenyl)cyclohexan-1-amine
CID 117310158
[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665
1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine
CID 117296588
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol
CID 117339277
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol
CID 176665939
[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
CID 117310098
1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine
CID 84774294
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088
5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84619753

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine (CID 117281654) is 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine is CCc1ccc(C)c(C2(N)CCC2)c1.
What is the InChIKey of 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine?
The InChIKey is TWPZFEBEAMYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-6-5-10(2)12(9-11)13(14)7-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine?
1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).