2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile

C17H18N2O2 — CID 63182209

IUPAC2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c18-10-11-21-16-8-6-14(7-9-16)12-19-17(13-20)15-4-2-1-3-5-15/h1-9,17,19-20H,11-13H2
InChIKeySMFMYEVPILNQLV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.41
Rot. Bonds7

About 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile

2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile (PubChem CID 63182209) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile
PubChem CID63182209
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c18-10-11-21-16-8-6-14(7-9-16)12-19-17(13-20)15-4-2-1-3-5-15/h1-9,17,19-20H,11-13H2
InChIKeySMFMYEVPILNQLV-UHFFFAOYSA-N
XLogP2.41
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
2-[4-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43776316
2-[4-[(1-phenylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 63011584
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
CID 111422052
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
methyl 2-[[4-(cyanomethoxy)phenyl]methylamino]propanoate
CID 60781956
2-[4-[1-(1-phenylethylamino)ethyl]phenoxy]acetonitrile
CID 43755916
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile (CID 63182209) is 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile is N#CCOc1ccc(CNC(CO)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile?
The InChIKey is SMFMYEVPILNQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-10-11-21-16-8-6-14(7-9-16)12-19-17(13-20)15-4-2-1-3-5-15/h1-9,17,19-20H,11-13H2.
What are the key properties of 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile?
2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 63182209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).