2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile

C14H11ClN2O — CID 62493170

IUPAC2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
SMILESCc1cccc(Oc2ccc(Cl)cc2C#N)c1N
InChIInChI=1S/C14H11ClN2O/c1-9-3-2-4-13(14(9)17)18-12-6-5-11(15)7-10(12)8-16/h2-7H,17H2,1H3
InChIKeyYKPZLOWQKXKJRB-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.89
Rot. Bonds2

About 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile

2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile (PubChem CID 62493170) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
PubChem CID62493170
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
SMILESCc1cccc(Oc2ccc(Cl)cc2C#N)c1N
InChIInChI=1S/C14H11ClN2O/c1-9-3-2-4-13(14(9)17)18-12-6-5-11(15)7-10(12)8-16/h2-7H,17H2,1H3
InChIKeyYKPZLOWQKXKJRB-UHFFFAOYSA-N
XLogP3.89
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-(3-methylphenoxy)aniline
CID 3368159
5-Chloro-2-(4-chloro-3-methylphenoxy)benzenamine
CID 4487552
2-Amino-5-chloro-3-methoxybenzonitrile
CID 70457077
5-Chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline hydrochloride
CID 16245090
3-[(6-Amino-2-fluoro-3-methylphenyl)oxy]-5-chlorobenzonitrile
CID 59451628
2-Amino-3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 68114333
2-(4-Chlorophenoxy)-4,6-bis(trifluoromethyl)aniline
CID 177710187
2-(4-Chlorophenoxy)-4-methylaniline
CID 26189592
4-[(2-Amino-4-chlorophenoxy)methyl]-3-fluorobenzonitrile
CID 24697391
2-(4-Chloro-3-methylphenoxy)-5-fluorophenylamine
CID 26189668
2-(4-Chloro-2,6-dimethylphenoxy)-5-fluoroaniline
CID 29267030
4-(4-Chloro-2-methylphenoxy)-2-(trifluoromethyl)aniline
CID 29274744

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile?
The IUPAC name of 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile (CID 62493170) is 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile.
What is the SMILES notation for 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile?
The canonical SMILES for 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile is Cc1cccc(Oc2ccc(Cl)cc2C#N)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile?
The InChIKey is YKPZLOWQKXKJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-3-2-4-13(14(9)17)18-12-6-5-11(15)7-10(12)8-16/h2-7H,17H2,1H3.
What are the key properties of 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile?
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile is sourced from PubChem (CID 62493170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).