4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile

C20H16N2O — CID 43826622

IUPAC4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
SMILESN#Cc1ccc(NC(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N2O/c21-14-15-6-10-18(11-7-15)22-20(16-4-2-1-3-5-16)17-8-12-19(23)13-9-17/h1-13,20,22-23H
InChIKeyYDKWFHUHNJGMFU-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.47
Rot. Bonds4

About 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile

4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile (PubChem CID 43826622) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
PubChem CID43826622
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
SMILESN#Cc1ccc(NC(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N2O/c21-14-15-6-10-18(11-7-15)22-20(16-4-2-1-3-5-16)17-8-12-19(23)13-9-17/h1-13,20,22-23H
InChIKeyYDKWFHUHNJGMFU-UHFFFAOYSA-N
XLogP4.47
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoanilino)-2-phenylacetic acid
CID 22039129
4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
CID 43433051
4-hydroxybenzonitrile
CID 53435365
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
4-[(3,3,3-trifluoro-1-phenylpropyl)amino]benzonitrile
CID 43763822
3-[(4-cyanophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 174221514
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-(1-phenylpropylamino)phenol
CID 43742837
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-(1,2-dibromo-2-phenylethyl)benzonitrile
CID 13431601
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile?
The IUPAC name of 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile (CID 43826622) is 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile.
What is the SMILES notation for 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile?
The canonical SMILES for 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile is N#Cc1ccc(NC(c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile?
The InChIKey is YDKWFHUHNJGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c21-14-15-6-10-18(11-7-15)22-20(16-4-2-1-3-5-16)17-8-12-19(23)13-9-17/h1-13,20,22-23H.
What are the key properties of 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile?
4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile has a molecular weight of 300.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile is sourced from PubChem (CID 43826622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).