4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid

C17H19NO3 — CID 107736656

IUPAC4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid
SMILESCCN(Cc1ccc(C(=O)O)cc1)c1cc(O)ccc1C
InChIInChI=1S/C17H19NO3/c1-3-18(16-10-15(19)9-4-12(16)2)11-13-5-7-14(8-6-13)17(20)21/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyOZUDGHWZHWOVPR-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.43
Rot. Bonds5

About 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid

4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid (PubChem CID 107736656) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid
PubChem CID107736656
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid
SMILESCCN(Cc1ccc(C(=O)O)cc1)c1cc(O)ccc1C
InChIInChI=1S/C17H19NO3/c1-3-18(16-10-15(19)9-4-12(16)2)11-13-5-7-14(8-6-13)17(20)21/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyOZUDGHWZHWOVPR-UHFFFAOYSA-N
XLogP3.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid
CID 107736634
3-amino-4-[ethyl-[(4-methylphenyl)methyl]amino]benzoic acid
CID 63119000
5-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107736645
(E)-4-(N-ethyl-5-hydroxy-2-methylanilino)but-2-enoic acid
CID 107736669
4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoic acid
CID 22675483
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
4-[(N-formyl-3-hydroxy-4-methylanilino)methyl]benzoic acid
CID 20848418
(N-ethyl-5-hydroxy-2-methylanilino)methyl-trifluoroboranuide
CID 107737617
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
3-[ethyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-4-methylphenol
CID 126824354
tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid
CID 54066906

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid?
The IUPAC name of 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid (CID 107736656) is 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid.
What is the SMILES notation for 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid?
The canonical SMILES for 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid is CCN(Cc1ccc(C(=O)O)cc1)c1cc(O)ccc1C.
What is the InChIKey of 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid?
The InChIKey is OZUDGHWZHWOVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-18(16-10-15(19)9-4-12(16)2)11-13-5-7-14(8-6-13)17(20)21/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid?
4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid is sourced from PubChem (CID 107736656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).