2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile

C15H13ClN2O — CID 102624960

IUPAC2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1cc(OCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C15H13ClN2O/c16-13-3-1-11(2-4-13)10-19-14-5-6-15(18)12(9-14)7-8-17/h1-6,9H,7,10,18H2
InChIKeyUZKWFZLIZGSYKZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.57
Rot. Bonds4

About 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile

2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile (PubChem CID 102624960) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile
PubChem CID102624960
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1cc(OCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C15H13ClN2O/c16-13-3-1-11(2-4-13)10-19-14-5-6-15(18)12(9-14)7-8-17/h1-6,9H,7,10,18H2
InChIKeyUZKWFZLIZGSYKZ-UHFFFAOYSA-N
XLogP3.57
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.57
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-(4-chlorophenoxy)phenyl]acetonitrile
CID 102624819
2-[2-amino-5-[(2-bromophenyl)methoxy]phenyl]acetonitrile
CID 102624987
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-[2-amino-5-(3,3-dimethylbutoxy)phenyl]acetonitrile
CID 102624966
2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile
CID 102624818
2-[4-(2-amino-5-chlorophenoxy)phenyl]acetonitrile
CID 115469218
2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102974798
2-[2-amino-5-(3-ethoxyphenoxy)phenyl]acetonitrile
CID 102624933
2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
CID 18069564
2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile
CID 106446731
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile (CID 102624960) is 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile is N#CCc1cc(OCc2ccc(Cl)cc2)ccc1N.
What is the InChIKey of 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is UZKWFZLIZGSYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-3-1-11(2-4-13)10-19-14-5-6-15(18)12(9-14)7-8-17/h1-6,9H,7,10,18H2.
What are the key properties of 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile?
2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 102624960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).