5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride

C18H18Cl2N2O2 — CID 68599466

IUPAC5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride
SMILESCl.N#Cc1cc(Cl)ccc1OC(c1ccccc1)[C@H]1CNCCO1
InChIInChI=1S/C18H17ClN2O2.ClH/c19-15-6-7-16(14(10-15)11-20)23-18(13-4-2-1-3-5-13)17-12-21-8-9-22-17;/h1-7,10,17-18,21H,8-9,12H2;1H/t17-,18?;/m1./s1
InChIKeyJCVPBZWMYJZCTD-XRVQSCEISA-N
MW365.26 g/mol
LogP3.74
Rot. Bonds4

About 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride

5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride (PubChem CID 68599466) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride
PubChem CID68599466
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride
SMILESCl.N#Cc1cc(Cl)ccc1OC(c1ccccc1)[C@H]1CNCCO1
InChIInChI=1S/C18H17ClN2O2.ClH/c19-15-6-7-16(14(10-15)11-20)23-18(13-4-2-1-3-5-13)17-12-21-8-9-22-17;/h1-7,10,17-18,21H,8-9,12H2;1H/t17-,18?;/m1./s1
InChIKeyJCVPBZWMYJZCTD-XRVQSCEISA-N
XLogP3.74
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile
CID 68538390
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(R)-(4-chloro-2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 68597009
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668
(E)-but-2-enedioic acid;(2S)-2-[(S)-(2,5-dichlorophenoxy)-phenylmethyl]morpholine
CID 68599248
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(2-bromo-4-chlorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 68597861
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775
2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile
CID 11558425
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride?
The IUPAC name of 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride (CID 68599466) is 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride.
What is the SMILES notation for 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride?
The canonical SMILES for 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride is Cl.N#Cc1cc(Cl)ccc1OC(c1ccccc1)[C@H]1CNCCO1.
What is the InChIKey of 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride?
The InChIKey is JCVPBZWMYJZCTD-XRVQSCEISA-N. The full InChI is InChI=1S/C18H17ClN2O2.ClH/c19-15-6-7-16(14(10-15)11-20)23-18(13-4-2-1-3-5-13)17-12-21-8-9-22-17;/h1-7,10,17-18,21H,8-9,12H2;1H/t17-,18?;/m1./s1.
What are the key properties of 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride?
5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride has a molecular weight of 365.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride is sourced from PubChem (CID 68599466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).