2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile

C14H20N4O — CID 114399276

IUPAC2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
SMILESCCN1CCOC(CNc2cccc(C#N)c2N)C1
InChIInChI=1S/C14H20N4O/c1-2-18-6-7-19-12(10-18)9-17-13-5-3-4-11(8-15)14(13)16/h3-5,12,17H,2,6-7,9-10,16H2,1H3
InChIKeyGJFZDKMOASHUGH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile

2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile (PubChem CID 114399276) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
PubChem CID114399276
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
SMILESCCN1CCOC(CNc2cccc(C#N)c2N)C1
InChIInChI=1S/C14H20N4O/c1-2-18-6-7-19-12(10-18)9-17-13-5-3-4-11(8-15)14(13)16/h3-5,12,17H,2,6-7,9-10,16H2,1H3
InChIKeyGJFZDKMOASHUGH-UHFFFAOYSA-N
XLogP1.27
TPSA74.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114399414
2-[(4-ethylmorpholin-2-yl)methylamino]-6-ethylsulfanylbenzonitrile
CID 114400094
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182
4-[(4-ethylmorpholin-2-yl)methylamino]-3-fluorobenzonitrile
CID 78952508
2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164197
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
2-amino-3-[(1,4-dimethylpiperazin-2-yl)methylamino]benzonitrile
CID 104716781
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile?
The IUPAC name of 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile (CID 114399276) is 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile?
The canonical SMILES for 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile is CCN1CCOC(CNc2cccc(C#N)c2N)C1.
What is the InChIKey of 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile?
The InChIKey is GJFZDKMOASHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-18-6-7-19-12(10-18)9-17-13-5-3-4-11(8-15)14(13)16/h3-5,12,17H,2,6-7,9-10,16H2,1H3.
What are the key properties of 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile?
2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 114399276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).