2-[(2-chlorophenyl)methoxy]aniline;hydrochloride

C13H13Cl2NO — CID 134094943

IUPAC2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
SMILESCl.Nc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C13H12ClNO.ClH/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15;/h1-8H,9,15H2;1H
InChIKeyOADWNDJCXVWGIC-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.92
Rot. Bonds3

About 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride

2-[(2-chlorophenyl)methoxy]aniline;hydrochloride (PubChem CID 134094943) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
PubChem CID134094943
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
SMILESCl.Nc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C13H12ClNO.ClH/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15;/h1-8H,9,15H2;1H
InChIKeyOADWNDJCXVWGIC-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.92
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-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-[3-[(2-chlorophenyl)methylsulfinyl]propoxy]aniline
CID 103289261
3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161313048
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride (CID 134094943) is 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride is Cl.Nc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
The InChIKey is OADWNDJCXVWGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO.ClH/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15;/h1-8H,9,15H2;1H.
What are the key properties of 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]aniline;hydrochloride is sourced from PubChem (CID 134094943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).