(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone

C15H21NO2 — CID 116917786

IUPAC(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CC(N)C2)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-8-5-13(18-4)9(2)10(3)14(8)15(17)11-6-12(16)7-11/h5,11-12H,6-7,16H2,1-4H3
InChIKeyNIWIXGVZLKWTLR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.54
Rot. Bonds3

About (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone

(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone (PubChem CID 116917786) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
PubChem CID116917786
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CC(N)C2)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-8-5-13(18-4)9(2)10(3)14(8)15(17)11-6-12(16)7-11/h5,11-12H,6-7,16H2,1-4H3
InChIKeyNIWIXGVZLKWTLR-UHFFFAOYSA-N
XLogP2.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161356
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116568899
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
1-(4-methoxy-2,3,6-trimethylphenyl)-2-sulfanylethanone
CID 116829931
(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone
CID 82552625
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
3-amino-2-hydroxy-1-(4-methoxy-2,3,6-trimethylphenyl)propan-1-one
CID 116826679
3-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161427

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone (CID 116917786) is (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone is COc1cc(C)c(C(=O)C2CC(N)C2)c(C)c1C.
What is the InChIKey of (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone?
The InChIKey is NIWIXGVZLKWTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-8-5-13(18-4)9(2)10(3)14(8)15(17)11-6-12(16)7-11/h5,11-12H,6-7,16H2,1-4H3.
What are the key properties of (3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone?
(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.54, 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-2,3,6-trimethylphenyl)methanone is sourced from PubChem (CID 116917786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).