2-(morpholin-2-ylmethoxy)benzonitrile

C12H14N2O2 — CID 64534469

IUPAC2-(morpholin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC1CNCCO1
InChIInChI=1S/C12H14N2O2/c13-7-10-3-1-2-4-12(10)16-9-11-8-14-5-6-15-11/h1-4,11,14H,5-6,8-9H2
InChIKeyBIKBAMWWWMWQRJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.93
Rot. Bonds3

About 2-(morpholin-2-ylmethoxy)benzonitrile

2-(morpholin-2-ylmethoxy)benzonitrile (PubChem CID 64534469) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(morpholin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-(morpholin-2-ylmethoxy)benzonitrile
PubChem CID64534469
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(morpholin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC1CNCCO1
InChIInChI=1S/C12H14N2O2/c13-7-10-3-1-2-4-12(10)16-9-11-8-14-5-6-15-11/h1-4,11,14H,5-6,8-9H2
InChIKeyBIKBAMWWWMWQRJ-UHFFFAOYSA-N
XLogP0.93
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-bromo-3-fluoro-4-(morpholin-2-ylmethoxy)benzonitrile
CID 107539843
(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
CID 71752946
(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
CID 71752943
2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381
2-[(2-pyridin-2-yloxyphenoxy)methyl]morpholine
CID 12919862
2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
CID 114468909

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-2-ylmethoxy)benzonitrile?
The IUPAC name of 2-(morpholin-2-ylmethoxy)benzonitrile (CID 64534469) is 2-(morpholin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-(morpholin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 2-(morpholin-2-ylmethoxy)benzonitrile is N#Cc1ccccc1OCC1CNCCO1.
What is the InChIKey of 2-(morpholin-2-ylmethoxy)benzonitrile?
The InChIKey is BIKBAMWWWMWQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-7-10-3-1-2-4-12(10)16-9-11-8-14-5-6-15-11/h1-4,11,14H,5-6,8-9H2.
What are the key properties of 2-(morpholin-2-ylmethoxy)benzonitrile?
2-(morpholin-2-ylmethoxy)benzonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 64534469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).