5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one

C13H19NO2 — CID 116613631

IUPAC5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
SMILESCOc1ccccc1C(=O)C(C)CCCN
InChIInChI=1S/C13H19NO2/c1-10(6-5-9-14)13(15)11-7-3-4-8-12(11)16-2/h3-4,7-8,10H,5-6,9,14H2,1-2H3
InChIKeyUZTMNGIDNZQVNG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds6

About 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one

5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one (PubChem CID 116613631) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
PubChem CID116613631
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
SMILESCOc1ccccc1C(=O)C(C)CCCN
InChIInChI=1S/C13H19NO2/c1-10(6-5-9-14)13(15)11-7-3-4-8-12(11)16-2/h3-4,7-8,10H,5-6,9,14H2,1-2H3
InChIKeyUZTMNGIDNZQVNG-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-(2-methoxyphenyl)-2-methylpentan-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

6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
CID 116574362
5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684407
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
6-amino-1-(2-fluoro-3-methoxyphenyl)-2-methylheptan-1-one
CID 116574297
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
CID 116574340
5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one
CID 114607787
4-(2-methoxyphenoxy)pentan-1-amine
CID 62460101

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one (CID 116613631) is 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one is COc1ccccc1C(=O)C(C)CCCN.
What is the InChIKey of 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one?
The InChIKey is UZTMNGIDNZQVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(6-5-9-14)13(15)11-7-3-4-8-12(11)16-2/h3-4,7-8,10H,5-6,9,14H2,1-2H3.
What are the key properties of 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one?
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one is sourced from PubChem (CID 116613631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).