4-chloro-3-methyl-2-(4-methylphenoxy)aniline

C14H14ClNO — CID 112740948

IUPAC4-chloro-3-methyl-2-(4-methylphenoxy)aniline
SMILESCc1ccc(Oc2c(N)ccc(Cl)c2C)cc1
InChIInChI=1S/C14H14ClNO/c1-9-3-5-11(6-4-9)17-14-10(2)12(15)7-8-13(14)16/h3-8H,16H2,1-2H3
InChIKeyIPAIMXDYPABMNG-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.33
Rot. Bonds2

About 4-chloro-3-methyl-2-(4-methylphenoxy)aniline

4-chloro-3-methyl-2-(4-methylphenoxy)aniline (PubChem CID 112740948) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-(4-methylphenoxy)aniline.

Molecular Properties

Compound Name4-chloro-3-methyl-2-(4-methylphenoxy)aniline
PubChem CID112740948
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-chloro-3-methyl-2-(4-methylphenoxy)aniline
SMILESCc1ccc(Oc2c(N)ccc(Cl)c2C)cc1
InChIInChI=1S/C14H14ClNO/c1-9-3-5-11(6-4-9)17-14-10(2)12(15)7-8-13(14)16/h3-8H,16H2,1-2H3
InChIKeyIPAIMXDYPABMNG-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-(4-methylphenoxy)aniline?
The IUPAC name of 4-chloro-3-methyl-2-(4-methylphenoxy)aniline (CID 112740948) is 4-chloro-3-methyl-2-(4-methylphenoxy)aniline.
What is the SMILES notation for 4-chloro-3-methyl-2-(4-methylphenoxy)aniline?
The canonical SMILES for 4-chloro-3-methyl-2-(4-methylphenoxy)aniline is Cc1ccc(Oc2c(N)ccc(Cl)c2C)cc1.
What is the InChIKey of 4-chloro-3-methyl-2-(4-methylphenoxy)aniline?
The InChIKey is IPAIMXDYPABMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-3-5-11(6-4-9)17-14-10(2)12(15)7-8-13(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-2-(4-methylphenoxy)aniline?
4-chloro-3-methyl-2-(4-methylphenoxy)aniline has a molecular weight of 247.73 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-(4-methylphenoxy)aniline is sourced from PubChem (CID 112740948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).