(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone

C15H21NO — CID 116917735

IUPAC(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(C)C)cc1C(=O)C1CC(N)C1
InChIInChI=1S/C15H21NO/c1-9(2)11-5-4-10(3)14(8-11)15(17)12-6-13(16)7-12/h4-5,8-9,12-13H,6-7,16H2,1-3H3
InChIKeyMKKUMFHWUCPSJH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds3

About (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone

(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone (PubChem CID 116917735) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
PubChem CID116917735
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(C)C)cc1C(=O)C1CC(N)C1
InChIInChI=1S/C15H21NO/c1-9(2)11-5-4-10(3)14(8-11)15(17)12-6-13(16)7-12/h4-5,8-9,12-13H,6-7,16H2,1-3H3
InChIKeyMKKUMFHWUCPSJH-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
CID 82493091
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
CID 116962785
2-(2-methyl-5-propan-2-ylphenyl)-2-oxoacetic acid
CID 82470282
2-bromo-1-(2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 82487811
3-bromo-1-(2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822755
4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
CID 116916232
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
1-(2-methyl-5-propan-2-ylphenyl)-3-piperidin-1-ylprop-2-yn-1-one
CID 116825742
(3-aminocyclobutyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917803

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone (CID 116917735) is (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone is Cc1ccc(C(C)C)cc1C(=O)C1CC(N)C1.
What is the InChIKey of (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone?
The InChIKey is MKKUMFHWUCPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9(2)11-5-4-10(3)14(8-11)15(17)12-6-13(16)7-12/h4-5,8-9,12-13H,6-7,16H2,1-3H3.
What are the key properties of (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone?
(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 116917735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).