(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone

C13H17NO — CID 116917672

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

About (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone

(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone (PubChem CID 116917672) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
PubChem CID116917672
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CC(N)C2)c(C)c1
InChIInChI=1S/C13H17NO/c1-8-3-4-12(9(2)5-8)13(15)10-6-11(14)7-10/h3-5,10-11H,6-7,14H2,1-2H3
InChIKeyQNHDBMKOUQNUPA-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

(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
CID 116917790
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
(2,4-dimethylphenyl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944446
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
2-(2,4-dimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918498
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 116917735
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
CID 32601136

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone (CID 116917672) is (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2CC(N)C2)c(C)c1.
What is the InChIKey of (3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone?
The InChIKey is QNHDBMKOUQNUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-3-4-12(9(2)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)-(2,4-dimethylphenyl)methanone?
(3-aminocyclobutyl)-(2,4-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)-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 116917672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).