4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one

C13H19NO2 — CID 82341665

IUPAC4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
SMILESCOc1c(C)cc(C)cc1C(=O)CCCN
InChIInChI=1S/C13H19NO2/c1-9-7-10(2)13(16-3)11(8-9)12(15)5-4-6-14/h7-8H,4-6,14H2,1-3H3
InChIKeyVYWIIBFTZURDQF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.23
Rot. Bonds5

About 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one

4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one (PubChem CID 82341665) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
PubChem CID82341665
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
SMILESCOc1c(C)cc(C)cc1C(=O)CCCN
InChIInChI=1S/C13H19NO2/c1-9-7-10(2)13(16-3)11(8-9)12(15)5-4-6-14/h7-8H,4-6,14H2,1-3H3
InChIKeyVYWIIBFTZURDQF-UHFFFAOYSA-N
XLogP2.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one 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

[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
CID 116921250
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678
methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
CID 82551916
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
7-amino-1-(2,4-dimethylphenyl)heptan-1-one
CID 116551380
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82551889
3-amino-1-(4-chloro-2-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117356323
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
CID 84805179
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one?
The IUPAC name of 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one (CID 82341665) is 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one?
The canonical SMILES for 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one is COc1c(C)cc(C)cc1C(=O)CCCN.
What is the InChIKey of 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one?
The InChIKey is VYWIIBFTZURDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-10(2)13(16-3)11(8-9)12(15)5-4-6-14/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one?
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one is sourced from PubChem (CID 82341665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).