2-amino-5-(dibenzylamino)benzoic acid

C21H20N2O2 — CID 91288703

IUPAC2-amino-5-(dibenzylamino)benzoic acid
SMILESNc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(=O)O
InChIInChI=1S/C21H20N2O2/c22-20-12-11-18(13-19(20)21(24)25)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15,22H2,(H,24,25)
InChIKeyNQIRFVDXGLVHKC-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.17
Rot. Bonds6

About 2-amino-5-(dibenzylamino)benzoic acid

2-amino-5-(dibenzylamino)benzoic acid (PubChem CID 91288703) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-amino-5-(dibenzylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(dibenzylamino)benzoic acid
PubChem CID91288703
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-amino-5-(dibenzylamino)benzoic acid
SMILESNc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(=O)O
InChIInChI=1S/C21H20N2O2/c22-20-12-11-18(13-19(20)21(24)25)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15,22H2,(H,24,25)
InChIKeyNQIRFVDXGLVHKC-UHFFFAOYSA-N
XLogP4.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
2-amino-5-benzylbenzoic acid
CID 23538086
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
5-(dibenzylamino)-4,6-dimethylbenzene-1,3-dicarboxylic acid
CID 155682286
2-[[4-(dibenzylamino)-2-[5-(dibenzylamino)-2-(2,2-dicyanoethenyl)benzoyl]phenyl]methylidene]propanedinitrile
CID 163854682
N,N-dibenzylaniline
CID 139071697
2-amino-5-[benzyl(2-hydroxyethyl)amino]benzonitrile
CID 115499378
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine
CID 175208267
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(dibenzylamino)benzoic acid?
The IUPAC name of 2-amino-5-(dibenzylamino)benzoic acid (CID 91288703) is 2-amino-5-(dibenzylamino)benzoic acid.
What is the SMILES notation for 2-amino-5-(dibenzylamino)benzoic acid?
The canonical SMILES for 2-amino-5-(dibenzylamino)benzoic acid is Nc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(dibenzylamino)benzoic acid?
The InChIKey is NQIRFVDXGLVHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-20-12-11-18(13-19(20)21(24)25)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15,22H2,(H,24,25).
What are the key properties of 2-amino-5-(dibenzylamino)benzoic acid?
2-amino-5-(dibenzylamino)benzoic acid has a molecular weight of 332.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(dibenzylamino)benzoic acid is sourced from PubChem (CID 91288703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).