3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide

C15H21BrN2O3 — CID 62628137

IUPAC3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
SMILESCOc1cc(CCN)cc(Br)c1OCCC(=O)NC1CC1
InChIInChI=1S/C15H21BrN2O3/c1-20-13-9-10(4-6-17)8-12(16)15(13)21-7-5-14(19)18-11-2-3-11/h8-9,11H,2-7,17H2,1H3,(H,18,19)
InChIKeyGUSBWCMWVQWKKR-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.01
Rot. Bonds8

About 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide

3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide (PubChem CID 62628137) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
PubChem CID62628137
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
SMILESCOc1cc(CCN)cc(Br)c1OCCC(=O)NC1CC1
InChIInChI=1S/C15H21BrN2O3/c1-20-13-9-10(4-6-17)8-12(16)15(13)21-7-5-14(19)18-11-2-3-11/h8-9,11H,2-7,17H2,1H3,(H,18,19)
InChIKeyGUSBWCMWVQWKKR-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide 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

3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62627586
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60905299
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79620613
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide (CID 62628137) is 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide is COc1cc(CCN)cc(Br)c1OCCC(=O)NC1CC1.
What is the InChIKey of 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide?
The InChIKey is GUSBWCMWVQWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-20-13-9-10(4-6-17)8-12(16)15(13)21-7-5-14(19)18-11-2-3-11/h8-9,11H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide?
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide has a molecular weight of 357.25 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 62628137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).