4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile

C14H11ClN2O — CID 62945870

IUPAC4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
SMILESN#Cc1ccc(OCc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C14H11ClN2O/c15-14-7-13(6-3-11(14)8-16)18-9-10-1-4-12(17)5-2-10/h1-7H,9,17H2
InChIKeySRLMWCJXAYEQCL-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.37
Rot. Bonds3

About 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile

4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile (PubChem CID 62945870) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
PubChem CID62945870
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
SMILESN#Cc1ccc(OCc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C14H11ClN2O/c15-14-7-13(6-3-11(14)8-16)18-9-10-1-4-12(17)5-2-10/h1-7H,9,17H2
InChIKeySRLMWCJXAYEQCL-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
4-(4-aminophenoxy)-2-chlorobenzonitrile
CID 62945049
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
2-chloro-4-(phenylmethoxymethoxy)benzonitrile
CID 102674690
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile?
The IUPAC name of 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile (CID 62945870) is 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile.
What is the SMILES notation for 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile?
The canonical SMILES for 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile is N#Cc1ccc(OCc2ccc(N)cc2)cc1Cl.
What is the InChIKey of 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile?
The InChIKey is SRLMWCJXAYEQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-14-7-13(6-3-11(14)8-16)18-9-10-1-4-12(17)5-2-10/h1-7H,9,17H2.
What are the key properties of 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile?
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile is sourced from PubChem (CID 62945870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).