2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid

C13H18BrNO2 — CID 65064536

IUPAC2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-3-8-15(9-13(16)17)10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyMWEFMDXYRDRVBL-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.31
Rot. Bonds6

About 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid

2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid (PubChem CID 65064536) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
PubChem CID65064536
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-3-8-15(9-13(16)17)10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyMWEFMDXYRDRVBL-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid 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-[1-(4-bromophenyl)ethyl-butan-2-ylamino]acetic acid
CID 65057440
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
CID 107426164
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid
CID 65064699
2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
CID 54984241
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid?
The IUPAC name of 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid (CID 65064536) is 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid is CCCN(CC(=O)O)C(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid?
The InChIKey is MWEFMDXYRDRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-8-15(9-13(16)17)10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid?
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid has a molecular weight of 300.20 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid is sourced from PubChem (CID 65064536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).