2-[(5-amino-2-methoxyphenyl)methylamino]benzamide

C15H17N3O2 — CID 61015082

IUPAC2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(N)cc1CNc1ccccc1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-20-14-7-6-11(16)8-10(14)9-18-13-5-3-2-4-12(13)15(17)19/h2-8,18H,9,16H2,1H3,(H2,17,19)
InChIKeyHWFPIRJMPGYJQA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds5

About 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide

2-[(5-amino-2-methoxyphenyl)methylamino]benzamide (PubChem CID 61015082) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
PubChem CID61015082
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(N)cc1CNc1ccccc1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-20-14-7-6-11(16)8-10(14)9-18-13-5-3-2-4-12(13)15(17)19/h2-8,18H,9,16H2,1H3,(H2,17,19)
InChIKeyHWFPIRJMPGYJQA-UHFFFAOYSA-N
XLogP1.99
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide
CID 78826242
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide?
The IUPAC name of 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide (CID 61015082) is 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide is COc1ccc(N)cc1CNc1ccccc1C(N)=O.
What is the InChIKey of 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide?
The InChIKey is HWFPIRJMPGYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-7-6-11(16)8-10(14)9-18-13-5-3-2-4-12(13)15(17)19/h2-8,18H,9,16H2,1H3,(H2,17,19).
What are the key properties of 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide?
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 61015082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).