2-(2-chloro-5-methylphenoxy)aniline

C13H12ClNO — CID 26189098

IUPAC2-(2-chloro-5-methylphenoxy)aniline
SMILESCc1ccc(Cl)c(Oc2ccccc2N)c1
InChIInChI=1S/C13H12ClNO/c1-9-6-7-10(14)13(8-9)16-12-5-3-2-4-11(12)15/h2-8H,15H2,1H3
InChIKeyYCSFYYBDZVSUCB-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.02
Rot. Bonds2

About 2-(2-chloro-5-methylphenoxy)aniline

2-(2-chloro-5-methylphenoxy)aniline (PubChem CID 26189098) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)aniline.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)aniline
PubChem CID26189098
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-(2-chloro-5-methylphenoxy)aniline
SMILESCc1ccc(Cl)c(Oc2ccccc2N)c1
InChIInChI=1S/C13H12ClNO/c1-9-6-7-10(14)13(8-9)16-12-5-3-2-4-11(12)15/h2-8H,15H2,1H3
InChIKeyYCSFYYBDZVSUCB-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-methylphenoxy)-5-iodoaniline
CID 66081953
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
2-(2,4-dichloro-3-methylphenoxy)aniline
CID 141466891
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
CID 12978921
3-amino-2-(2-chloro-5-methylphenoxy)benzoic acid
CID 112579753
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
6-(2-chloro-5-methylphenoxy)quinolin-5-amine
CID 43809883

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)aniline?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)aniline (CID 26189098) is 2-(2-chloro-5-methylphenoxy)aniline.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)aniline?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)aniline is Cc1ccc(Cl)c(Oc2ccccc2N)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)aniline?
The InChIKey is YCSFYYBDZVSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-6-7-10(14)13(8-9)16-12-5-3-2-4-11(12)15/h2-8H,15H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)aniline?
2-(2-chloro-5-methylphenoxy)aniline has a molecular weight of 233.70 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)aniline is sourced from PubChem (CID 26189098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).