(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone

C14H19NO3 — CID 116917726

IUPAC(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)C2CC(N)C2)c(OC)cc1C
InChIInChI=1S/C14H19NO3/c1-8-4-13(18-3)11(7-12(8)17-2)14(16)9-5-10(15)6-9/h4,7,9-10H,5-6,15H2,1-3H3
InChIKeyBYUHWTLRIJGJBD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds4

About (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone

(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone (PubChem CID 116917726) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
PubChem CID116917726
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)C2CC(N)C2)c(OC)cc1C
InChIInChI=1S/C14H19NO3/c1-8-4-13(18-3)11(7-12(8)17-2)14(16)9-5-10(15)6-9/h4,7,9-10H,5-6,15H2,1-3H3
InChIKeyBYUHWTLRIJGJBD-UHFFFAOYSA-N
XLogP1.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116568899
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
CID 116917786
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
2,5-dimethoxy-4-methylbenzamide
CID 82491295
(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone (CID 116917726) is (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone is COc1cc(C(=O)C2CC(N)C2)c(OC)cc1C.
What is the InChIKey of (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone?
The InChIKey is BYUHWTLRIJGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-8-4-13(18-3)11(7-12(8)17-2)14(16)9-5-10(15)6-9/h4,7,9-10H,5-6,15H2,1-3H3.
What are the key properties of (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone?
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone is sourced from PubChem (CID 116917726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).