3,4-dichloro-N-methyl-N-phenylaniline

C13H11Cl2N — CID 73012191

IUPAC3,4-dichloro-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N/c1-16(10-5-3-2-4-6-10)11-7-8-12(14)13(15)9-11/h2-9H,1H3
InChIKeyLJUDPTYNVWWHRL-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.76
Rot. Bonds2

About 3,4-dichloro-N-methyl-N-phenylaniline

3,4-dichloro-N-methyl-N-phenylaniline (PubChem CID 73012191) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 3,4-dichloro-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name3,4-dichloro-N-methyl-N-phenylaniline
PubChem CID73012191
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name3,4-dichloro-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N/c1-16(10-5-3-2-4-6-10)11-7-8-12(14)13(15)9-11/h2-9H,1H3
InChIKeyLJUDPTYNVWWHRL-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methyl-N-phenylaniline?
The IUPAC name of 3,4-dichloro-N-methyl-N-phenylaniline (CID 73012191) is 3,4-dichloro-N-methyl-N-phenylaniline.
What is the SMILES notation for 3,4-dichloro-N-methyl-N-phenylaniline?
The canonical SMILES for 3,4-dichloro-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-methyl-N-phenylaniline?
The InChIKey is LJUDPTYNVWWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c1-16(10-5-3-2-4-6-10)11-7-8-12(14)13(15)9-11/h2-9H,1H3.
What are the key properties of 3,4-dichloro-N-methyl-N-phenylaniline?
3,4-dichloro-N-methyl-N-phenylaniline has a molecular weight of 252.14 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methyl-N-phenylaniline is sourced from PubChem (CID 73012191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).