2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid

C15H21NO2 — CID 65496312

IUPAC2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid
SMILESCCN(CC1(CC(=O)O)CC1)c1ccccc1C
InChIInChI=1S/C15H21NO2/c1-3-16(13-7-5-4-6-12(13)2)11-15(8-9-15)10-14(17)18/h4-7H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyOZSGIQCYTMDJNY-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.08
Rot. Bonds6

About 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid

2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid (PubChem CID 65496312) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid
PubChem CID65496312
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid
SMILESCCN(CC1(CC(=O)O)CC1)c1ccccc1C
InChIInChI=1S/C15H21NO2/c1-3-16(13-7-5-4-6-12(13)2)11-15(8-9-15)10-14(17)18/h4-7H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyOZSGIQCYTMDJNY-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]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-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071605
2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid
CID 117371219
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
CID 82777293
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline
CID 63739930
[1-[(N-ethyl-2-fluoroanilino)methyl]cyclopentyl]methanol
CID 62265108
2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497379
1-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853440
5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid
CID 63378349
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
CID 63907183
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid (CID 65496312) is 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid is CCN(CC1(CC(=O)O)CC1)c1ccccc1C.
What is the InChIKey of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid?
The InChIKey is OZSGIQCYTMDJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(13-7-5-4-6-12(13)2)11-15(8-9-15)10-14(17)18/h4-7H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid?
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65496312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).