2-(2-aminoethylamino)-6-chlorobenzonitrile

C9H10ClN3 — CID 62496330

IUPAC2-(2-aminoethylamino)-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NCCN
InChIInChI=1S/C9H10ClN3/c10-8-2-1-3-9(7(8)6-12)13-5-4-11/h1-3,13H,4-5,11H2
InChIKeyWMYNTUXKFGQIFI-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-aminoethylamino)-6-chlorobenzonitrile

2-(2-aminoethylamino)-6-chlorobenzonitrile (PubChem CID 62496330) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-aminoethylamino)-6-chlorobenzonitrile
PubChem CID62496330
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-(2-aminoethylamino)-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NCCN
InChIInChI=1S/C9H10ClN3/c10-8-2-1-3-9(7(8)6-12)13-5-4-11/h1-3,13H,4-5,11H2
InChIKeyWMYNTUXKFGQIFI-UHFFFAOYSA-N
XLogP1.58
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808
2-chloro-6-hydrazinylbenzonitrile;hydrochloride
CID 53416800
2-chloro-6-[2-(2-methoxyethylamino)ethylamino]benzonitrile
CID 83030093
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
2-chloro-6-(2-thiomorpholin-4-ylethylamino)benzonitrile
CID 106325544
2-[(3-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 62500403
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 114143992
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 62539428
2-chloro-6-(2,6-dichloroanilino)benzonitrile
CID 65468244
2-chloro-6-(2-pyrrolidin-2-ylethylamino)benzonitrile
CID 114794369
2-chloro-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzonitrile
CID 80683009
2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile
CID 63870686

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-6-chlorobenzonitrile?
The IUPAC name of 2-(2-aminoethylamino)-6-chlorobenzonitrile (CID 62496330) is 2-(2-aminoethylamino)-6-chlorobenzonitrile.
What is the SMILES notation for 2-(2-aminoethylamino)-6-chlorobenzonitrile?
The canonical SMILES for 2-(2-aminoethylamino)-6-chlorobenzonitrile is N#Cc1c(Cl)cccc1NCCN.
What is the InChIKey of 2-(2-aminoethylamino)-6-chlorobenzonitrile?
The InChIKey is WMYNTUXKFGQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-8-2-1-3-9(7(8)6-12)13-5-4-11/h1-3,13H,4-5,11H2.
What are the key properties of 2-(2-aminoethylamino)-6-chlorobenzonitrile?
2-(2-aminoethylamino)-6-chlorobenzonitrile has a molecular weight of 195.65 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-6-chlorobenzonitrile is sourced from PubChem (CID 62496330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).