4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid

C15H24N2O2 — CID 102993991

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
SMILESCCN(CCCN(C)C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-17(10-6-9-16(3)4)13-7-8-14(15(18)19)12(2)11-13/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeyHAXFKCZCPWWUDB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.47
Rot. Bonds7

About 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid

4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid (PubChem CID 102993991) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
PubChem CID102993991
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
SMILESCCN(CCCN(C)C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-17(10-6-9-16(3)4)13-7-8-14(15(18)19)12(2)11-13/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeyHAXFKCZCPWWUDB-UHFFFAOYSA-N
XLogP2.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[3-(dimethylamino)propyl-ethylamino]benzoic acid
CID 102995966
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
CID 63954988
2-bromo-4-[3-(dimethylamino)propyl-ethylamino]-3-fluorobenzoic acid
CID 107540550
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
(Z)-4-[4-(diethylamino)-2-methylphenyl]pent-3-en-2-one
CID 167297529
4-[3-(dimethylamino)propyl-methylamino]-2-(trifluoromethyl)benzoic acid
CID 63726558
4-[butyl(ethyl)amino]-2-nitrobenzoic acid
CID 113419608
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
CID 62135793
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid (CID 102993991) is 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid is CCN(CCCN(C)C)c1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid?
The InChIKey is HAXFKCZCPWWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(10-6-9-16(3)4)13-7-8-14(15(18)19)12(2)11-13/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid?
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid is sourced from PubChem (CID 102993991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).