1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine

C16H13Cl2N3 — CID 136822601

IUPAC1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine
SMILESClc1cccc(Cl)c1CN/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C16H13Cl2N3/c17-14-5-3-6-15(18)13(14)10-21-20-9-11-8-19-16-7-2-1-4-12(11)16/h1-9,19,21H,10H2/b20-9-
InChIKeyDMWHRCRJFDJCCY-UKWGHVSLSA-N
MW318.21 g/mol
LogP4.60
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine

1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine (PubChem CID 136822601) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine
PubChem CID136822601
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine
SMILESClc1cccc(Cl)c1CN/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C16H13Cl2N3/c17-14-5-3-6-15(18)13(14)10-21-20-9-11-8-19-16-7-2-1-4-12(11)16/h1-9,19,21H,10H2/b20-9-
InChIKeyDMWHRCRJFDJCCY-UKWGHVSLSA-N
XLogP4.60
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine
CID 19060201
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
CID 19060080
3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
CID 135683472
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
2-chloro-5-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]benzoate
CID 135795392
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine (CID 136822601) is 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine is Clc1cccc(Cl)c1CN/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine?
The InChIKey is DMWHRCRJFDJCCY-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-14-5-3-6-15(18)13(14)10-21-20-9-11-8-19-16-7-2-1-4-12(11)16/h1-9,19,21H,10H2/b20-9-.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine?
1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine has a molecular weight of 318.21 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine is sourced from PubChem (CID 136822601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).