3,4-dichloro-N-methylaniline

C7H7Cl2N — CID 2800931

IUPAC3,4-dichloro-N-methylaniline
SMILESCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
InChIKeyDUSNCFKVMGTTFK-UHFFFAOYSA-N
MW176.05 g/mol
LogP3.04
Rot. Bonds1

About 3,4-dichloro-N-methylaniline

3,4-dichloro-N-methylaniline (PubChem CID 2800931) has the molecular formula C7H7Cl2N and a molecular weight of 176.05 g/mol. Its IUPAC name is 3,4-dichloro-N-methylaniline.

Molecular Properties

Compound Name3,4-dichloro-N-methylaniline
PubChem CID2800931
Molecular FormulaC7H7Cl2N
Molecular Weight176.05 g/mol
Exact Mass175.00
IUPAC Name3,4-dichloro-N-methylaniline
SMILESCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
InChIKeyDUSNCFKVMGTTFK-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methylaniline?
The IUPAC name of 3,4-dichloro-N-methylaniline (CID 2800931) is 3,4-dichloro-N-methylaniline.
What is the SMILES notation for 3,4-dichloro-N-methylaniline?
The canonical SMILES for 3,4-dichloro-N-methylaniline is CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-methylaniline?
The InChIKey is DUSNCFKVMGTTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3.
What are the key properties of 3,4-dichloro-N-methylaniline?
3,4-dichloro-N-methylaniline has a molecular weight of 176.05 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methylaniline is sourced from PubChem (CID 2800931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).