4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile

C15H21N3O — CID 79674361

IUPAC4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile
SMILESCCNC(C)c1ccccc1N1CCOC(C#N)C1
InChIInChI=1S/C15H21N3O/c1-3-17-12(2)14-6-4-5-7-15(14)18-8-9-19-13(10-16)11-18/h4-7,12-13,17H,3,8-9,11H2,1-2H3
InChIKeyZZNDVUKGQBNNKI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds4

About 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile

4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile (PubChem CID 79674361) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile
PubChem CID79674361
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile
SMILESCCNC(C)c1ccccc1N1CCOC(C#N)C1
InChIInChI=1S/C15H21N3O/c1-3-17-12(2)14-6-4-5-7-15(14)18-8-9-19-13(10-16)11-18/h4-7,12-13,17H,3,8-9,11H2,1-2H3
InChIKeyZZNDVUKGQBNNKI-UHFFFAOYSA-N
XLogP2.09
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile
CID 79674360
4-[3-fluoro-2-[1-(propylamino)ethyl]phenyl]morpholine-2-carbonitrile
CID 79670015
N-[1-[2-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562783
4-(2-aminophenyl)morpholine-2-carbonitrile
CID 79674348
N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170650
(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
CID 71421335
4-[2-(1-aminoethyl)-4-bromophenyl]morpholine-2-carbonitrile
CID 82968886
4-phenylmorpholine-2-carbonitrile
CID 67651414
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
CID 61441210
4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile
CID 104834711
4-[5-bromo-2-(1-hydroxyethyl)phenyl]morpholine-2-carbonitrile
CID 82971166
4-[2-(1-aminoethyl)-5-bromophenyl]morpholine-2-carbonitrile
CID 82968607

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile (CID 79674361) is 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile is CCNC(C)c1ccccc1N1CCOC(C#N)C1.
What is the InChIKey of 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile?
The InChIKey is ZZNDVUKGQBNNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17-12(2)14-6-4-5-7-15(14)18-8-9-19-13(10-16)11-18/h4-7,12-13,17H,3,8-9,11H2,1-2H3.
What are the key properties of 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile?
4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).