2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid

C16H17NO3 — CID 107736699

IUPAC2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
SMILESCN(Cc1ccccc1CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-17(14-7-4-8-15(18)10-14)11-13-6-3-2-5-12(13)9-16(19)20/h2-8,10,18H,9,11H2,1H3,(H,19,20)
InChIKeyLCYIDBKCSPLCBM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid

2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid (PubChem CID 107736699) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
PubChem CID107736699
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
SMILESCN(Cc1ccccc1CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-17(14-7-4-8-15(18)10-14)11-13-6-3-2-5-12(13)9-16(19)20/h2-8,10,18H,9,11H2,1H3,(H,19,20)
InChIKeyLCYIDBKCSPLCBM-UHFFFAOYSA-N
XLogP2.66
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198841
methyl 2-[2-[[3-(hydroxymethyl)-N-methylanilino]methyl]phenyl]acetate
CID 86781702
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol
CID 107733874
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide
CID 115465315
1-[2-(3-hydroxy-N-methylanilino)ethyl]cyclopropane-1-carboxylic acid
CID 84797407

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid (CID 107736699) is 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid is CN(Cc1ccccc1CC(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid?
The InChIKey is LCYIDBKCSPLCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17(14-7-4-8-15(18)10-14)11-13-6-3-2-5-12(13)9-16(19)20/h2-8,10,18H,9,11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid?
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid is sourced from PubChem (CID 107736699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).