N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine

C19H21N3O — CID 29147802

IUPACN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCCn1cc(/C=N\NCc2ccccc2OC)c2ccccc21
InChIInChI=1S/C19H21N3O/c1-3-22-14-16(17-9-5-6-10-18(17)22)13-21-20-12-15-8-4-7-11-19(15)23-2/h4-11,13-14,20H,3,12H2,1-2H3/b21-13-
InChIKeyJBUWGDLTYVJTLK-BKUYFWCQSA-N
MW307.40 g/mol
LogP3.79
Rot. Bonds6

About N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine

N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 29147802) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID29147802
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCCn1cc(/C=N\NCc2ccccc2OC)c2ccccc21
InChIInChI=1S/C19H21N3O/c1-3-22-14-16(17-9-5-6-10-18(17)22)13-21-20-12-15-8-4-7-11-19(15)23-2/h4-11,13-14,20H,3,12H2,1-2H3/b21-13-
InChIKeyJBUWGDLTYVJTLK-BKUYFWCQSA-N
XLogP3.79
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.79
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

1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine
CID 29147846
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245785
ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate
CID 29147811
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147830
2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 6107555
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
1-(2-methoxyphenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 29147383
N-[(E)-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245849
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147731
1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
CID 29147920
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 29147802) is N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine is CCn1cc(/C=N\NCc2ccccc2OC)c2ccccc21.
What is the InChIKey of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is JBUWGDLTYVJTLK-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-22-14-16(17-9-5-6-10-18(17)22)13-21-20-12-15-8-4-7-11-19(15)23-2/h4-11,13-14,20H,3,12H2,1-2H3/b21-13-.
What are the key properties of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 307.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 29147802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).