4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile

C14H19N3O — CID 14881847

IUPAC4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCOC(CCN)C2)cc1
InChIInChI=1S/C14H19N3O/c15-6-5-14-11-17(7-8-18-14)10-13-3-1-12(9-16)2-4-13/h1-4,14H,5-8,10-11,15H2
InChIKeyQWYPXBYEAOOUNJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.11
Rot. Bonds4

About 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile

4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 14881847) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
PubChem CID14881847
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCOC(CCN)C2)cc1
InChIInChI=1S/C14H19N3O/c15-6-5-14-11-17(7-8-18-14)10-13-3-1-12(9-16)2-4-13/h1-4,14H,5-8,10-11,15H2
InChIKeyQWYPXBYEAOOUNJ-UHFFFAOYSA-N
XLogP1.11
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
2-[4-[(4-phenoxyphenyl)methyl]morpholin-2-yl]ethanamine
CID 74241226
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 74237243
2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
CID 125438590
4-[[7-(3-aminopropyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]methyl]benzonitrile
CID 68519084
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392884
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile (CID 14881847) is 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCOC(CCN)C2)cc1.
What is the InChIKey of 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is QWYPXBYEAOOUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-6-5-14-11-17(7-8-18-14)10-13-3-1-12(9-16)2-4-13/h1-4,14H,5-8,10-11,15H2.
What are the key properties of 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile?
4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 14881847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).