4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid

C12H17NO3 — CID 112694436

IUPAC4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
SMILESCCN(CCO)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-3-13(6-7-14)10-4-5-11(12(15)16)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyDJDRKHRFLHKQQU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.51
Rot. Bonds5

About 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid

4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid (PubChem CID 112694436) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
PubChem CID112694436
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
SMILESCCN(CCO)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-3-13(6-7-14)10-4-5-11(12(15)16)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyDJDRKHRFLHKQQU-UHFFFAOYSA-N
XLogP1.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991
4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
CID 63954988
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
(Z)-4-[4-(diethylamino)-2-methylphenyl]pent-3-en-2-one
CID 167297529
4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 63212681
2-chloro-4-(diethylamino)benzoic acid
CID 62945761
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
1-[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]ethanone
CID 104529568
4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
CID 62135800
2-[4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]ethanol
CID 59366403
2-ethenyl-4-[ethyl(propyl)amino]benzoic acid
CID 70518860
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid (CID 112694436) is 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid is CCN(CCO)c1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid?
The InChIKey is DJDRKHRFLHKQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-13(6-7-14)10-4-5-11(12(15)16)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid?
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 112694436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).