4-(2-amino-4-phenylmethoxyphenyl)benzonitrile

C20H16N2O — CID 172674866

IUPAC4-(2-amino-4-phenylmethoxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccccc3)cc2N)cc1
InChIInChI=1S/C20H16N2O/c21-13-15-6-8-17(9-7-15)19-11-10-18(12-20(19)22)23-14-16-4-2-1-3-5-16/h1-12H,14,22H2
InChIKeyKYYHVTPCTZJTSI-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.39
Rot. Bonds4

About 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile

4-(2-amino-4-phenylmethoxyphenyl)benzonitrile (PubChem CID 172674866) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-4-phenylmethoxyphenyl)benzonitrile
PubChem CID172674866
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-(2-amino-4-phenylmethoxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccccc3)cc2N)cc1
InChIInChI=1S/C20H16N2O/c21-13-15-6-8-17(9-7-15)19-11-10-18(12-20(19)22)23-14-16-4-2-1-3-5-16/h1-12H,14,22H2
InChIKeyKYYHVTPCTZJTSI-UHFFFAOYSA-N
XLogP4.39
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.39
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

4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
2-phenyl-5-phenylmethoxyphenol
CID 123808909
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315
4-[[3-(bromomethyl)-5-phenylmethoxyphenoxy]methyl]benzonitrile
CID 19995075
2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 3470401
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-phenylmethoxyaniline
CID 159966727
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile?
The IUPAC name of 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile (CID 172674866) is 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile.
What is the SMILES notation for 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile?
The canonical SMILES for 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile is N#Cc1ccc(-c2ccc(OCc3ccccc3)cc2N)cc1.
What is the InChIKey of 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile?
The InChIKey is KYYHVTPCTZJTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c21-13-15-6-8-17(9-7-15)19-11-10-18(12-20(19)22)23-14-16-4-2-1-3-5-16/h1-12H,14,22H2.
What are the key properties of 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile?
4-(2-amino-4-phenylmethoxyphenyl)benzonitrile has a molecular weight of 300.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-phenylmethoxyphenyl)benzonitrile is sourced from PubChem (CID 172674866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).