methyl 3-(benzylamino)-4-hydroxybenzoate

C15H15NO3 — CID 83317646

IUPACmethyl 3-(benzylamino)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(NCc2ccccc2)c1
InChIInChI=1S/C15H15NO3/c1-19-15(18)12-7-8-14(17)13(9-12)16-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
InChIKeyVCWBWFUVHOAJKB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.79
Rot. Bonds4

About methyl 3-(benzylamino)-4-hydroxybenzoate

methyl 3-(benzylamino)-4-hydroxybenzoate (PubChem CID 83317646) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 3-(benzylamino)-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-(benzylamino)-4-hydroxybenzoate
PubChem CID83317646
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 3-(benzylamino)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(NCc2ccccc2)c1
InChIInChI=1S/C15H15NO3/c1-19-15(18)12-7-8-14(17)13(9-12)16-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
InChIKeyVCWBWFUVHOAJKB-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(2-hydroxyanilino)methyl]phenyl]methylamino]phenol;methyl 3-hydroxy-4-[[4-[(2-hydroxy-4-methoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 143099197
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
methyl 4-chloro-3-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoate
CID 107685484
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 3-[(3,5-dimethylphenyl)methylamino]-4-methylbenzoate
CID 60690722
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
ethyl 3-amino-4-(benzylamino)benzoate
CID 56828473
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 4-[4-(anilinomethyl)phenyl]benzoate
CID 134537510
methyl 3-[(2-chloroacetyl)amino]-4-hydroxybenzoate
CID 66521938
methyl 4-amino-3-(pyridin-3-ylmethylamino)benzoate
CID 82784968

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylamino)-4-hydroxybenzoate?
The IUPAC name of methyl 3-(benzylamino)-4-hydroxybenzoate (CID 83317646) is methyl 3-(benzylamino)-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-(benzylamino)-4-hydroxybenzoate?
The canonical SMILES for methyl 3-(benzylamino)-4-hydroxybenzoate is COC(=O)c1ccc(O)c(NCc2ccccc2)c1.
What is the InChIKey of methyl 3-(benzylamino)-4-hydroxybenzoate?
The InChIKey is VCWBWFUVHOAJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-15(18)12-7-8-14(17)13(9-12)16-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3.
What are the key properties of methyl 3-(benzylamino)-4-hydroxybenzoate?
methyl 3-(benzylamino)-4-hydroxybenzoate has a molecular weight of 257.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylamino)-4-hydroxybenzoate is sourced from PubChem (CID 83317646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).