N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline

C18H19N3O — CID 110509075

IUPACN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
SMILESCOc1ccc(N/N=C/c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-13-17(16-6-4-5-7-18(16)21(13)2)12-19-20-14-8-10-15(22-3)11-9-14/h4-12,20H,1-3H3/b19-12+
InChIKeyGRIJWVRQMPAURU-XDHOZWIPSA-N
MW293.37 g/mol
LogP3.94
Rot. Bonds4

About N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline

N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline (PubChem CID 110509075) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
PubChem CID110509075
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
SMILESCOc1ccc(N/N=C/c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-13-17(16-6-4-5-7-18(16)21(13)2)12-19-20-14-8-10-15(22-3)11-9-14/h4-12,20H,1-3H3/b19-12+
InChIKeyGRIJWVRQMPAURU-XDHOZWIPSA-N
XLogP3.94
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110532079
N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine
CID 78614143
2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline
CID 3845942
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
1-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-3-prop-2-enylthiourea
CID 110508330
2-[(1,2-dimethylindol-3-yl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 3548827
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
4-[(1,2-dimethylindol-3-yl)methyl]-N-(4-methoxyphenyl)aniline;trihydroxy(methyl)-λ4-sulfane
CID 90935957
N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3388041
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline?
The IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline (CID 110509075) is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline.
What is the SMILES notation for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline?
The canonical SMILES for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline is COc1ccc(N/N=C/c2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline?
The InChIKey is GRIJWVRQMPAURU-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-17(16-6-4-5-7-18(16)21(13)2)12-19-20-14-8-10-15(22-3)11-9-14/h4-12,20H,1-3H3/b19-12+.
What are the key properties of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline?
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline has a molecular weight of 293.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline is sourced from PubChem (CID 110509075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).