N-(4-chlorophenyl)-3-methylaniline

C13H12ClN — CID 57302180

IUPACN-(4-chlorophenyl)-3-methylaniline
SMILESCc1cccc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClN/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChIKeyIMISRARDBZMOGG-UHFFFAOYSA-N
MW217.70 g/mol
LogP4.39
Rot. Bonds2

About N-(4-chlorophenyl)-3-methylaniline

N-(4-chlorophenyl)-3-methylaniline (PubChem CID 57302180) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methylaniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methylaniline
PubChem CID57302180
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC NameN-(4-chlorophenyl)-3-methylaniline
SMILESCc1cccc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClN/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChIKeyIMISRARDBZMOGG-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methylaniline?
The IUPAC name of N-(4-chlorophenyl)-3-methylaniline (CID 57302180) is N-(4-chlorophenyl)-3-methylaniline.
What is the SMILES notation for N-(4-chlorophenyl)-3-methylaniline?
The canonical SMILES for N-(4-chlorophenyl)-3-methylaniline is Cc1cccc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-methylaniline?
The InChIKey is IMISRARDBZMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3.
What are the key properties of N-(4-chlorophenyl)-3-methylaniline?
N-(4-chlorophenyl)-3-methylaniline has a molecular weight of 217.70 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methylaniline is sourced from PubChem (CID 57302180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).