(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone

C14H19NO2 — CID 116924371

IUPAC(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone
SMILESCOc1c(C)c(C)cc(C)c1C(=O)C1(N)CC1
InChIInChI=1S/C14H19NO2/c1-8-7-9(2)11(12(17-4)10(8)3)13(16)14(15)5-6-14/h7H,5-6,15H2,1-4H3
InChIKeyCWNVELREVHTWHX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds3

About (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone

(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone (PubChem CID 116924371) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone
PubChem CID116924371
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone
SMILESCOc1c(C)c(C)cc(C)c1C(=O)C1(N)CC1
InChIInChI=1S/C14H19NO2/c1-8-7-9(2)11(12(17-4)10(8)3)13(16)14(15)5-6-14/h7H,5-6,15H2,1-4H3
InChIKeyCWNVELREVHTWHX-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(E)-4-(2-methoxy-3,4,6-trimethylphenyl)-4-oxobut-2-enoic acid
CID 116919495
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
2,6-dimethoxy-3,4-dimethylbenzamide
CID 175082400
2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918593
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
1-[amino-(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943159
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone (CID 116924371) is (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone is COc1c(C)c(C)cc(C)c1C(=O)C1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone?
The InChIKey is CWNVELREVHTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8-7-9(2)11(12(17-4)10(8)3)13(16)14(15)5-6-14/h7H,5-6,15H2,1-4H3.
What are the key properties of (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone?
(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 116924371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).