N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline

C22H19N3 — CID 135758920

IUPACN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
SMILESCc1[nH]c2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3/c1-17-21(20-14-8-9-15-22(20)24-17)16-23-25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,24H,1H3/b23-16+
InChIKeyNGCJFVWOQSBOHP-XQNSMLJCSA-N
MW325.42 g/mol
LogP5.65
Rot. Bonds4

About N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline (PubChem CID 135758920) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
PubChem CID135758920
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
SMILESCc1[nH]c2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3/c1-17-21(20-14-8-9-15-22(20)24-17)16-23-25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,24H,1H3/b23-16+
InChIKeyNGCJFVWOQSBOHP-XQNSMLJCSA-N
XLogP5.65
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
CID 172940453
N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide
CID 175538541
ethyl 3-[(diphenylhydrazinylidene)methyl]-5-ethoxy-1H-indole-2-carboxylate
CID 3589980
4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide
CID 136656724
(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 135771176
2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine
CID 3284671
(E)-2-methyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 116866126
2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 132502200
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline (CID 135758920) is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline is Cc1[nH]c2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline?
The InChIKey is NGCJFVWOQSBOHP-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19N3/c1-17-21(20-14-8-9-15-22(20)24-17)16-23-25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,24H,1H3/b23-16+.
What are the key properties of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline?
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline has a molecular weight of 325.42 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 135758920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).