1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine

C17H15Cl2N3 — CID 19060080

IUPAC1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
SMILESCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C17H15Cl2N3/c1-22-11-12(13-5-2-3-8-17(13)22)9-20-21-10-14-15(18)6-4-7-16(14)19/h2-9,11,21H,10H2,1H3/b20-9+
InChIKeyVFWBCIFPTASFIX-AWQFTUOYSA-N
MW332.23 g/mol
LogP4.61
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine

1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine (PubChem CID 19060080) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
PubChem CID19060080
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
SMILESCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C17H15Cl2N3/c1-22-11-12(13-5-2-3-8-17(13)22)9-20-21-10-14-15(18)6-4-7-16(14)19/h2-9,11,21H,10H2,1H3/b20-9+
InChIKeyVFWBCIFPTASFIX-AWQFTUOYSA-N
XLogP4.61
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
3-chloro-4-methyl-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110506574
1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine
CID 19060201
3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
CID 19060384
3-chloro-4-methoxy-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110505378
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine
CID 136822601
N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine
CID 2321746
1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 110537286
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
CID 3938272
N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 23476860
3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3916491

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine (CID 19060080) is 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine is Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine?
The InChIKey is VFWBCIFPTASFIX-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c1-22-11-12(13-5-2-3-8-17(13)22)9-20-21-10-14-15(18)6-4-7-16(14)19/h2-9,11,21H,10H2,1H3/b20-9+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine?
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine has a molecular weight of 332.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine is sourced from PubChem (CID 19060080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).