4-(2-aminophenoxy)-3-chloroaniline

C12H11ClN2O — CID 66486738

IUPAC4-(2-aminophenoxy)-3-chloroaniline
SMILESNc1ccc(Oc2ccccc2N)c(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-9-7-8(14)5-6-11(9)16-12-4-2-1-3-10(12)15/h1-7H,14-15H2
InChIKeyQRLLPGIXPKRGKM-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.30
Rot. Bonds2

About 4-(2-aminophenoxy)-3-chloroaniline

4-(2-aminophenoxy)-3-chloroaniline (PubChem CID 66486738) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-3-chloroaniline.

Molecular Properties

Compound Name4-(2-aminophenoxy)-3-chloroaniline
PubChem CID66486738
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-(2-aminophenoxy)-3-chloroaniline
SMILESNc1ccc(Oc2ccccc2N)c(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-9-7-8(14)5-6-11(9)16-12-4-2-1-3-10(12)15/h1-7H,14-15H2
InChIKeyQRLLPGIXPKRGKM-UHFFFAOYSA-N
XLogP3.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
CID 12978921
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
3-chloro-4-(1H-indol-7-yloxy)aniline
CID 68660571
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550
2-(2,4-dichloro-3-methylphenoxy)aniline
CID 141466891
3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
CID 130155682
3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
CID 21391500
5-amino-2-(2-chlorophenoxy)benzenesulfonate
CID 4161171
4-[3-[2,3-bis(2,4-diaminophenoxy)phenoxy]-2-(2,4-diaminophenoxy)phenoxy]benzene-1,3-diamine
CID 174723644

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-3-chloroaniline?
The IUPAC name of 4-(2-aminophenoxy)-3-chloroaniline (CID 66486738) is 4-(2-aminophenoxy)-3-chloroaniline.
What is the SMILES notation for 4-(2-aminophenoxy)-3-chloroaniline?
The canonical SMILES for 4-(2-aminophenoxy)-3-chloroaniline is Nc1ccc(Oc2ccccc2N)c(Cl)c1.
What is the InChIKey of 4-(2-aminophenoxy)-3-chloroaniline?
The InChIKey is QRLLPGIXPKRGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-7-8(14)5-6-11(9)16-12-4-2-1-3-10(12)15/h1-7H,14-15H2.
What are the key properties of 4-(2-aminophenoxy)-3-chloroaniline?
4-(2-aminophenoxy)-3-chloroaniline has a molecular weight of 234.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-3-chloroaniline is sourced from PubChem (CID 66486738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).