4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline

C23H21N3O2 — CID 174201538

IUPAC4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline
SMILESCOc1ccc(NN=Cc2c[nH]c3cccc(OCc4ccccc4)c23)cc1
InChIInChI=1S/C23H21N3O2/c1-27-20-12-10-19(11-13-20)26-25-15-18-14-24-21-8-5-9-22(23(18)21)28-16-17-6-3-2-4-7-17/h2-15,24,26H,16H2,1H3
InChIKeyRUTXXBBCKYSHKG-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.20
Rot. Bonds7

About 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline

4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline (PubChem CID 174201538) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline
PubChem CID174201538
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline
SMILESCOc1ccc(NN=Cc2c[nH]c3cccc(OCc4ccccc4)c23)cc1
InChIInChI=1S/C23H21N3O2/c1-27-20-12-10-19(11-13-20)26-25-15-18-14-24-21-8-5-9-22(23(18)21)28-16-17-6-3-2-4-7-17/h2-15,24,26H,16H2,1H3
InChIKeyRUTXXBBCKYSHKG-UHFFFAOYSA-N
XLogP5.20
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
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-[(E)-(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 174161231
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline
CID 164573251
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110508918
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline?
The IUPAC name of 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline (CID 174201538) is 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline?
The canonical SMILES for 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline is COc1ccc(NN=Cc2c[nH]c3cccc(OCc4ccccc4)c23)cc1.
What is the InChIKey of 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline?
The InChIKey is RUTXXBBCKYSHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-20-12-10-19(11-13-20)26-25-15-18-14-24-21-8-5-9-22(23(18)21)28-16-17-6-3-2-4-7-17/h2-15,24,26H,16H2,1H3.
What are the key properties of 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline?
4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline has a molecular weight of 371.44 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 174201538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).