4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid

C15H21NO2 — CID 62134263

IUPAC4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
SMILESCCCN(CC1CC1)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO2/c1-3-8-16(10-12-4-5-12)13-6-7-14(15(17)18)11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyQPUNNLZTBYRVCO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.32
Rot. Bonds6

About 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid

4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid (PubChem CID 62134263) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
PubChem CID62134263
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
SMILESCCCN(CC1CC1)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO2/c1-3-8-16(10-12-4-5-12)13-6-7-14(15(17)18)11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyQPUNNLZTBYRVCO-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic 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

4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
CID 63954988
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
4-[bis(cyclopropylmethyl)amino]-2-fluorobenzoic acid
CID 115485485
2-bromo-4-[cyclopropylmethyl(propyl)amino]-3-fluorobenzoic acid
CID 107540182
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
2-amino-4-[bis(cyclopropylmethyl)amino]benzoic acid
CID 113419827
2-[cyclopropylmethyl(propyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63514861
2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
CID 61441562
N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63551176
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991
3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 91053808

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid (CID 62134263) is 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid is CCCN(CC1CC1)c1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid?
The InChIKey is QPUNNLZTBYRVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-8-16(10-12-4-5-12)13-6-7-14(15(17)18)11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid?
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 62134263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).