2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile

C18H18N2O2 — CID 68538390

IUPAC2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile
SMILESN#Cc1ccccc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H18N2O2/c19-12-15-8-4-5-9-16(15)22-18(14-6-2-1-3-7-14)17-13-20-10-11-21-17/h1-9,17-18,20H,10-11,13H2/t17-,18?/m0/s1
InChIKeyMDXPOQYVXORXBP-ZENAZSQFSA-N
MW294.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile

2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile (PubChem CID 68538390) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile.

Molecular Properties

Compound Name2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile
PubChem CID68538390
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile
SMILESN#Cc1ccccc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H18N2O2/c19-12-15-8-4-5-9-16(15)22-18(14-6-2-1-3-7-14)17-13-20-10-11-21-17/h1-9,17-18,20H,10-11,13H2/t17-,18?/m0/s1
InChIKeyMDXPOQYVXORXBP-ZENAZSQFSA-N
XLogP2.67
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile
CID 11558425
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668
5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride
CID 68599466
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine
CID 11709415
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine
CID 68538263
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 68542186
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
2-[(S)-phenyl-(2-phenylmethoxyphenoxy)methyl]morpholine
CID 68545339
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine
CID 68538619

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile?
The IUPAC name of 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile (CID 68538390) is 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile.
What is the SMILES notation for 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile?
The canonical SMILES for 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile is N#Cc1ccccc1OC(c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile?
The InChIKey is MDXPOQYVXORXBP-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-12-15-8-4-5-9-16(15)22-18(14-6-2-1-3-7-14)17-13-20-10-11-21-17/h1-9,17-18,20H,10-11,13H2/t17-,18?/m0/s1.
What are the key properties of 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile?
2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile has a molecular weight of 294.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile is sourced from PubChem (CID 68538390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).