2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride

C15H15ClN2O — CID 46736942

IUPAC2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride
SMILESCNCc1ccc(Oc2ccccc2C#N)cc1.Cl
InChIInChI=1S/C15H14N2O.ClH/c1-17-11-12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-16;/h2-9,17H,11H2,1H3;1H
InChIKeySGNFNBBWBQJJPV-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride

2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride (PubChem CID 46736942) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride
PubChem CID46736942
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride
SMILESCNCc1ccc(Oc2ccccc2C#N)cc1.Cl
InChIInChI=1S/C15H14N2O.ClH/c1-17-11-12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-16;/h2-9,17H,11H2,1H3;1H
InChIKeySGNFNBBWBQJJPV-UHFFFAOYSA-N
XLogP3.49
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-[4-(2-cyanophenoxy)phenyl]propanoate
CID 131724973
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326
4-(2-cyanophenoxy)benzamide
CID 28825078
2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile
CID 106485293
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-[3-(4-ethylphenoxy)propoxy]benzonitrile
CID 43289370
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile
CID 23339372
1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
CID 60577685

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride?
The IUPAC name of 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride (CID 46736942) is 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride?
The canonical SMILES for 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride is CNCc1ccc(Oc2ccccc2C#N)cc1.Cl.
What is the InChIKey of 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride?
The InChIKey is SGNFNBBWBQJJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.ClH/c1-17-11-12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-16;/h2-9,17H,11H2,1H3;1H.
What are the key properties of 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride?
2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride is sourced from PubChem (CID 46736942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).