2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile

C13H17N3O — CID 113285117

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
SMILESCC(N)C1CN(c2ccccc2C#N)CCO1
InChIInChI=1S/C13H17N3O/c1-10(15)13-9-16(6-7-17-13)12-5-3-2-4-11(12)8-14/h2-5,10,13H,6-7,9,15H2,1H3
InChIKeyAYBDMMUBOJORSQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.11
Rot. Bonds2

About 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile

2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile (PubChem CID 113285117) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
PubChem CID113285117
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
SMILESCC(N)C1CN(c2ccccc2C#N)CCO1
InChIInChI=1S/C13H17N3O/c1-10(15)13-9-16(6-7-17-13)12-5-3-2-4-11(12)8-14/h2-5,10,13H,6-7,9,15H2,1H3
InChIKeyAYBDMMUBOJORSQ-UHFFFAOYSA-N
XLogP1.11
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-aminoethyl)morpholin-4-yl]-3-chlorobenzonitrile
CID 115315958
4-[2-(1-aminoethyl)morpholin-4-yl]-2-chlorobenzonitrile
CID 115315812
2-[3-(1-aminoethyl)pyrrolidin-1-yl]benzonitrile
CID 103976657
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 115315735
4-[2-(1-aminoethyl)morpholin-4-yl]-2-(trifluoromethyl)benzonitrile
CID 115315825
1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315768
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 115315787
1-[4-(2-iodo-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315849
1-(4-pyrimidin-2-ylmorpholin-2-yl)ethanamine
CID 115315809
1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315864
2-morpholin-4-ylbenzonitrile
CID 2737012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile (CID 113285117) is 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile is CC(N)C1CN(c2ccccc2C#N)CCO1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile?
The InChIKey is AYBDMMUBOJORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(15)13-9-16(6-7-17-13)12-5-3-2-4-11(12)8-14/h2-5,10,13H,6-7,9,15H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile?
2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile is sourced from PubChem (CID 113285117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).