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

C14H11ClN2O — CID 63082961

IUPAC2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1ccc(N)cc1
InChIInChI=1S/C14H11ClN2O/c15-12-4-3-11(8-16)14(7-12)18-9-10-1-5-13(17)6-2-10/h1-7H,9,17H2
InChIKeyUTEQRUBZJFMERD-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.37
Rot. Bonds3

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

2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile (PubChem CID 63082961) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
PubChem CID63082961
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1ccc(N)cc1
InChIInChI=1S/C14H11ClN2O/c15-12-4-3-11(8-16)14(7-12)18-9-10-1-5-13(17)6-2-10/h1-7H,9,17H2
InChIKeyUTEQRUBZJFMERD-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

4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzonitrile
CID 114322730
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
CID 113277305
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 114322638
4-chloro-2-ethoxybenzonitrile
CID 22721189

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile?
The IUPAC name of 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile (CID 63082961) is 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile.
What is the SMILES notation for 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile?
The canonical SMILES for 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1OCc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile?
The InChIKey is UTEQRUBZJFMERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-4-3-11(8-16)14(7-12)18-9-10-1-5-13(17)6-2-10/h1-7H,9,17H2.
What are the key properties of 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile?
2-[(4-aminophenyl)methoxy]-4-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 2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile is sourced from PubChem (CID 63082961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).