(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone

C13H17NO2 — CID 116917663

IUPAC(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CC(N)C2)cc1C
InChIInChI=1S/C13H17NO2/c1-8-5-9(3-4-12(8)16-2)13(15)10-6-11(14)7-10/h3-5,10-11H,6-7,14H2,1-2H3
InChIKeyZWTZMXYUKFQZKA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.92
Rot. Bonds3

About (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone

(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 116917663) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID116917663
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CC(N)C2)cc1C
InChIInChI=1S/C13H17NO2/c1-8-5-9(3-4-12(8)16-2)13(15)10-6-11(14)7-10/h3-5,10-11H,6-7,14H2,1-2H3
InChIKeyZWTZMXYUKFQZKA-UHFFFAOYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 171947236
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
CID 116917790
(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
CID 116917786
(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
CID 116568873
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone (CID 116917663) is (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)C2CC(N)C2)cc1C.
What is the InChIKey of (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is ZWTZMXYUKFQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-9(3-4-12(8)16-2)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)-(4-methoxy-3-methylphenyl)methanone?
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 219.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 116917663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).