4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile

C14H18N2O2 — CID 92983510

IUPAC4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
SMILESC[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C14H18N2O2/c1-12-11-16(6-8-17-12)7-9-18-14-4-2-13(10-15)3-5-14/h2-5,12H,6-9,11H2,1H3/t12-/m0/s1
InChIKeyLGFCCPGKUSXTTG-LBPRGKRZSA-N
MW246.31 g/mol
LogP1.66
Rot. Bonds4

About 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile

4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile (PubChem CID 92983510) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
PubChem CID92983510
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
SMILESC[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C14H18N2O2/c1-12-11-16(6-8-17-12)7-9-18-14-4-2-13(10-15)3-5-14/h2-5,12H,6-9,11H2,1H3/t12-/m0/s1
InChIKeyLGFCCPGKUSXTTG-LBPRGKRZSA-N
XLogP1.66
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
CID 43288608
4-[2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 128997059
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
4-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzonitrile
CID 63610370
4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile
CID 60696551
4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 129332456
4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride
CID 2993844
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
2-[3-(2-methylmorpholin-4-yl)propoxy]benzonitrile
CID 43288613
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
CID 47053041
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
1-[2-(4-cyanophenoxy)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720877

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile (CID 92983510) is 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile is C[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1.
What is the InChIKey of 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile?
The InChIKey is LGFCCPGKUSXTTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12-11-16(6-8-17-12)7-9-18-14-4-2-13(10-15)3-5-14/h2-5,12H,6-9,11H2,1H3/t12-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile?
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile is sourced from PubChem (CID 92983510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).