3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline

C19H17N3 — CID 144892818

IUPAC3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline
SMILES[H]/N=C/c1c(Nc2ccccc2)cccc1-c1ccccc1N
InChIInChI=1S/C19H17N3/c20-13-17-15(16-9-4-5-11-18(16)21)10-6-12-19(17)22-14-7-2-1-3-8-14/h1-13,20,22H,21H2/b20-13+
InChIKeyODUXOTLPBNRZIR-DEDYPNTBSA-N
MW287.37 g/mol
LogP4.68
Rot. Bonds4

About 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline

3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline (PubChem CID 144892818) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline.

Molecular Properties

Compound Name3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline
PubChem CID144892818
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline
SMILES[H]/N=C/c1c(Nc2ccccc2)cccc1-c1ccccc1N
InChIInChI=1S/C19H17N3/c20-13-17-15(16-9-4-5-11-18(16)21)10-6-12-19(17)22-14-7-2-1-3-8-14/h1-13,20,22H,21H2/b20-13+
InChIKeyODUXOTLPBNRZIR-DEDYPNTBSA-N
XLogP4.68
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methanimidoylbenzene-1,3-diamine
CID 88563224
2-amino-6-anilinophenol
CID 23106882
4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
CID 143557825
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine
CID 130239581
3-iodo-2-methanimidoylaniline
CID 147995375
2-amino-6-anilinobenzoic acid
CID 67684436
6-(3-amino-2-methanimidoylphenyl)pyridine-2-carbothioamide
CID 145401444
N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
CID 156811982
benzene;N,2-diphenylaniline
CID 175029921
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
CID 145060284

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline?
The IUPAC name of 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline (CID 144892818) is 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline.
What is the SMILES notation for 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline?
The canonical SMILES for 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline is [H]/N=C/c1c(Nc2ccccc2)cccc1-c1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline?
The InChIKey is ODUXOTLPBNRZIR-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N3/c20-13-17-15(16-9-4-5-11-18(16)21)10-6-12-19(17)22-14-7-2-1-3-8-14/h1-13,20,22H,21H2/b20-13+.
What are the key properties of 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline?
3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline has a molecular weight of 287.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline is sourced from PubChem (CID 144892818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).