1,1-dichloro-N-phenylmethanimine

C7H5Cl2N — CID 12145

IUPAC1,1-dichloro-N-phenylmethanimine
SMILESClC(Cl)=Nc1ccccc1
InChIInChI=1S/C7H5Cl2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyTTWWZVGVBRPHLE-UHFFFAOYSA-N
MW174.03 g/mol
LogP3.15
Rot. Bonds1

About 1,1-dichloro-N-phenylmethanimine

1,1-dichloro-N-phenylmethanimine (PubChem CID 12145) has the molecular formula C7H5Cl2N and a molecular weight of 174.03 g/mol. Its IUPAC name is 1,1-dichloro-N-phenylmethanimine.

Molecular Properties

Compound Name1,1-dichloro-N-phenylmethanimine
PubChem CID12145
Molecular FormulaC7H5Cl2N
Molecular Weight174.03 g/mol
Exact Mass172.98
IUPAC Name1,1-dichloro-N-phenylmethanimine
SMILESClC(Cl)=Nc1ccccc1
InChIInChI=1S/C7H5Cl2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyTTWWZVGVBRPHLE-UHFFFAOYSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N-phenylmethanimine?
The IUPAC name of 1,1-dichloro-N-phenylmethanimine (CID 12145) is 1,1-dichloro-N-phenylmethanimine.
What is the SMILES notation for 1,1-dichloro-N-phenylmethanimine?
The canonical SMILES for 1,1-dichloro-N-phenylmethanimine is ClC(Cl)=Nc1ccccc1.
What is the InChIKey of 1,1-dichloro-N-phenylmethanimine?
The InChIKey is TTWWZVGVBRPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1,1-dichloro-N-phenylmethanimine?
1,1-dichloro-N-phenylmethanimine has a molecular weight of 174.03 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N-phenylmethanimine is sourced from PubChem (CID 12145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).