2,3-dichloro-6-[(E)-prop-1-enyl]aniline

C9H9Cl2N — CID 11790257

IUPAC2,3-dichloro-6-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(Cl)c(Cl)c1N
InChIInChI=1S/C9H9Cl2N/c1-2-3-6-4-5-7(10)8(11)9(6)12/h2-5H,12H2,1H3/b3-2+
InChIKeyLHTSIJMXCQKJIZ-NSCUHMNNSA-N
MW202.08 g/mol
LogP3.61
Rot. Bonds1

About 2,3-dichloro-6-[(E)-prop-1-enyl]aniline

2,3-dichloro-6-[(E)-prop-1-enyl]aniline (PubChem CID 11790257) has the molecular formula C9H9Cl2N and a molecular weight of 202.08 g/mol. Its IUPAC name is 2,3-dichloro-6-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-6-[(E)-prop-1-enyl]aniline
PubChem CID11790257
Molecular FormulaC9H9Cl2N
Molecular Weight202.08 g/mol
Exact Mass201.01
IUPAC Name2,3-dichloro-6-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(Cl)c(Cl)c1N
InChIInChI=1S/C9H9Cl2N/c1-2-3-6-4-5-7(10)8(11)9(6)12/h2-5H,12H2,1H3/b3-2+
InChIKeyLHTSIJMXCQKJIZ-NSCUHMNNSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2-prop-1-enylbenzene
CID 70502505
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene
CID 153376323
1,2,5-trichloro-3-prop-1-enylbenzene
CID 173058657
1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene
CID 68850657
2-chloro-1-methyl-3-prop-1-enylbenzene
CID 123915318
N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine
CID 170194791
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20633114
1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-prop-1-enylbenzene
CID 87600963
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594
3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole
CID 158484920

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-[(E)-prop-1-enyl]aniline?
The IUPAC name of 2,3-dichloro-6-[(E)-prop-1-enyl]aniline (CID 11790257) is 2,3-dichloro-6-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for 2,3-dichloro-6-[(E)-prop-1-enyl]aniline?
The canonical SMILES for 2,3-dichloro-6-[(E)-prop-1-enyl]aniline is C/C=C/c1ccc(Cl)c(Cl)c1N.
What is the InChIKey of 2,3-dichloro-6-[(E)-prop-1-enyl]aniline?
The InChIKey is LHTSIJMXCQKJIZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H9Cl2N/c1-2-3-6-4-5-7(10)8(11)9(6)12/h2-5H,12H2,1H3/b3-2+.
What are the key properties of 2,3-dichloro-6-[(E)-prop-1-enyl]aniline?
2,3-dichloro-6-[(E)-prop-1-enyl]aniline has a molecular weight of 202.08 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 11790257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).