2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile

C14H11ClN2O — CID 102624818

IUPAC2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile
SMILESN#CCc1cc(Oc2ccccc2Cl)ccc1N
InChIInChI=1S/C14H11ClN2O/c15-12-3-1-2-4-14(12)18-11-5-6-13(17)10(9-11)7-8-16/h1-6,9H,7,17H2
InChIKeyYKBGTQZOGUAHNR-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.78
Rot. Bonds3

About 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile

2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile (PubChem CID 102624818) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile
PubChem CID102624818
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile
SMILESN#CCc1cc(Oc2ccccc2Cl)ccc1N
InChIInChI=1S/C14H11ClN2O/c15-12-3-1-2-4-14(12)18-11-5-6-13(17)10(9-11)7-8-16/h1-6,9H,7,17H2
InChIKeyYKBGTQZOGUAHNR-UHFFFAOYSA-N
XLogP3.78
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.78
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

2-[2-amino-5-(2-methylphenoxy)phenyl]acetonitrile
CID 102624823
2-[2-amino-5-(4-chlorophenoxy)phenyl]acetonitrile
CID 102624819
3-[4-amino-3-(cyanomethyl)phenoxy]benzonitrile
CID 102624859
2-[2-amino-5-(2-bromo-4-methoxyphenoxy)phenyl]acetonitrile
CID 102624994
2-[2-amino-5-(3,5-dimethylphenoxy)phenyl]acetonitrile
CID 102624822
2-[2-amino-5-(2-methoxy-4-methylphenoxy)phenyl]acetonitrile
CID 102624837
2-[2-amino-5-(3-tert-butylphenoxy)phenyl]acetonitrile
CID 102624898
2-[2-amino-5-(3-ethoxyphenoxy)phenyl]acetonitrile
CID 102624933
2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile
CID 102623812
2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile
CID 102624960
2-[2-amino-5-[(2-bromophenyl)methoxy]phenyl]acetonitrile
CID 102624987
3-[4-amino-3-(cyanomethyl)phenoxy]-5-methoxybenzonitrile
CID 103566390

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile (CID 102624818) is 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile is N#CCc1cc(Oc2ccccc2Cl)ccc1N.
What is the InChIKey of 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile?
The InChIKey is YKBGTQZOGUAHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-3-1-2-4-14(12)18-11-5-6-13(17)10(9-11)7-8-16/h1-6,9H,7,17H2.
What are the key properties of 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile?
2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile is sourced from PubChem (CID 102624818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).