(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone

C13H17NO — CID 116917656

IUPAC(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2CC(N)C2)c1
InChIInChI=1S/C13H17NO/c1-8-3-4-9(2)12(5-8)13(15)10-6-11(14)7-10/h3-5,10-11H,6-7,14H2,1-2H3
InChIKeyIKSSZBIKWVOVQV-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.22
Rot. Bonds2

About (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone

(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone (PubChem CID 116917656) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
PubChem CID116917656
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2CC(N)C2)c1
InChIInChI=1S/C13H17NO/c1-8-3-4-9(2)12(5-8)13(15)10-6-11(14)7-10/h3-5,10-11H,6-7,14H2,1-2H3
InChIKeyIKSSZBIKWVOVQV-UHFFFAOYSA-N
XLogP2.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 116917735
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone
CID 116585032
(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
CID 116917790
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
3-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161715
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
(3-aminocyclobutyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917803

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone (CID 116917656) is (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)C2CC(N)C2)c1.
What is the InChIKey of (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is IKSSZBIKWVOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-3-4-9(2)12(5-8)13(15)10-6-11(14)7-10/h3-5,10-11H,6-7,14H2,1-2H3.
What are the key properties of (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone?
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone has a molecular weight of 203.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116917656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).