2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile

C20H16N2O2 — CID 58685862

IUPAC2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1O
InChIInChI=1S/C20H16N2O2/c21-13-16-9-10-17(12-20(16)23)22-14-15-5-4-8-19(11-15)24-18-6-2-1-3-7-18/h1-12,22-23H,14H2
InChIKeyOCZJHXUMZAWVEE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.67
Rot. Bonds5

About 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile

2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile (PubChem CID 58685862) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile
PubChem CID58685862
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1O
InChIInChI=1S/C20H16N2O2/c21-13-16-9-10-17(12-20(16)23)22-14-15-5-4-8-19(11-15)24-18-6-2-1-3-7-18/h1-12,22-23H,14H2
InChIKeyOCZJHXUMZAWVEE-UHFFFAOYSA-N
XLogP4.67
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol
CID 69011029
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
2-fluoro-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 115367213
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
3-[(3,4-dicyanoanilino)methyl]benzoic acid
CID 107791372
4-(benzylamino)-2-methylbenzonitrile
CID 81272992
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
2-chloro-4-[[3-(2-methoxyethoxy)phenyl]methylamino]benzonitrile
CID 133297366
5-[(3-ethoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316098
3-[(3-phenoxyphenyl)methylamino]propanenitrile
CID 28728151
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile?
The IUPAC name of 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile (CID 58685862) is 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile?
The canonical SMILES for 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile is N#Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile?
The InChIKey is OCZJHXUMZAWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c21-13-16-9-10-17(12-20(16)23)22-14-15-5-4-8-19(11-15)24-18-6-2-1-3-7-18/h1-12,22-23H,14H2.
What are the key properties of 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile?
2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile has a molecular weight of 316.36 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile is sourced from PubChem (CID 58685862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).