4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid

C13H16ClNO3 — CID 102741133

IUPAC4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
SMILESCN(CCOc1cc(Cl)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H16ClNO3/c1-15(10-3-4-10)6-7-18-12-8-9(14)2-5-11(12)13(16)17/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyWVDWCYKDEFLXNW-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.51
Rot. Bonds6

About 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid

4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid (PubChem CID 102741133) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
PubChem CID102741133
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
SMILESCN(CCOc1cc(Cl)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H16ClNO3/c1-15(10-3-4-10)6-7-18-12-8-9(14)2-5-11(12)13(16)17/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyWVDWCYKDEFLXNW-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic 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-amino-5-[2-[cyclopropyl(methyl)amino]ethoxy]-4-fluorobenzoic acid
CID 102740359
[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone
CID 166204898
4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzoic acid
CID 102741131
4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]benzoic acid
CID 79679785
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
CID 63081321
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid (CID 102741133) is 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid is CN(CCOc1cc(Cl)ccc1C(=O)O)C1CC1.
What is the InChIKey of 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid?
The InChIKey is WVDWCYKDEFLXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-15(10-3-4-10)6-7-18-12-8-9(14)2-5-11(12)13(16)17/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,17).
What are the key properties of 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid?
4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 102741133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).