N-(2,3-dichloroprop-2-enyl)aniline

C9H9Cl2N — CID 79167902

IUPACN-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1ccccc1
InChIInChI=1S/C9H9Cl2N/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-6,12H,7H2
InChIKeyUUVFWFCBNZHGEO-UHFFFAOYSA-N
MW202.08 g/mol
LogP3.42
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)aniline

N-(2,3-dichloroprop-2-enyl)aniline (PubChem CID 79167902) has the molecular formula C9H9Cl2N and a molecular weight of 202.08 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)aniline.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)aniline
PubChem CID79167902
Molecular FormulaC9H9Cl2N
Molecular Weight202.08 g/mol
Exact Mass201.01
IUPAC NameN-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1ccccc1
InChIInChI=1S/C9H9Cl2N/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-6,12H,7H2
InChIKeyUUVFWFCBNZHGEO-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,3-dichloroprop-2-enyl)aniline
CID 79168299
4-tert-butyl-N-(2,3-dichloroprop-2-enyl)aniline
CID 79168001
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
CID 79168498
N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline
CID 79167544
2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline
CID 79167147
N-(3,3-dichloro-2-methylprop-2-enyl)aniline
CID 130006231
4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile
CID 107789184
2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline
CID 79167531
1-anilino-3-phenyliminopropan-2-one
CID 91514500
2-anilinoacetic acid;formic acid
CID 174518720
2-anilinoacetic acid;hydrazine
CID 67393863
N-[(E)-2,3-diphenylprop-2-enyl]aniline
CID 101023407

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)aniline?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)aniline (CID 79167902) is N-(2,3-dichloroprop-2-enyl)aniline.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)aniline?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)aniline is ClC=C(Cl)CNc1ccccc1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)aniline?
The InChIKey is UUVFWFCBNZHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-6,12H,7H2.
What are the key properties of N-(2,3-dichloroprop-2-enyl)aniline?
N-(2,3-dichloroprop-2-enyl)aniline has a molecular weight of 202.08 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)aniline is sourced from PubChem (CID 79167902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).