N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine

C19H15N3O — CID 6899627

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
SMILESCOc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C19H15N3O/c1-23-15-10-8-13(9-11-15)12-20-22-19-16-6-2-4-14-5-3-7-17(21-19)18(14)16/h2-12H,1H3,(H,21,22)/b20-12+
InChIKeySAQKCYMABRLDBF-UDWIEESQSA-N
MW301.35 g/mol
LogP3.86
Rot. Bonds3

About N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine

N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine (PubChem CID 6899627) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
PubChem CID6899627
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
SMILESCOc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C19H15N3O/c1-23-15-10-8-13(9-11-15)12-20-22-19-16-6-2-4-14-5-3-7-17(21-19)18(14)16/h2-12H,1H3,(H,21,22)/b20-12+
InChIKeySAQKCYMABRLDBF-UDWIEESQSA-N
XLogP3.86
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine
CID 6085383
N-[(Z)-(4-nitrophenyl)methylideneamino]benzo[cd]indol-2-amine
CID 6007493
N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
CID 2316098
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 8878425
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
CID 53357332

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine (CID 6899627) is N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine is COc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine?
The InChIKey is SAQKCYMABRLDBF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O/c1-23-15-10-8-13(9-11-15)12-20-22-19-16-6-2-4-14-5-3-7-17(21-19)18(14)16/h2-12H,1H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine is sourced from PubChem (CID 6899627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).