4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile

C16H23N3O2 — CID 95979245

IUPAC4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile
SMILESCN1CCO[C@H](CNCCCOc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-19-8-10-21-16(13-19)12-18-7-2-9-20-15-5-3-14(11-17)4-6-15/h3-6,16,18H,2,7-10,12-13H2,1H3/t16-/m1/s1
InChIKeyNIRYRCVGNTYJDI-MRXNPFEDSA-N
MW289.38 g/mol
LogP1.25
Rot. Bonds7

About 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile

4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile (PubChem CID 95979245) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile.

Molecular Properties

Compound Name4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile
PubChem CID95979245
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile
SMILESCN1CCO[C@H](CNCCCOc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-19-8-10-21-16(13-19)12-18-7-2-9-20-15-5-3-14(11-17)4-6-15/h3-6,16,18H,2,7-10,12-13H2,1H3/t16-/m1/s1
InChIKeyNIRYRCVGNTYJDI-MRXNPFEDSA-N
XLogP1.25
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3-phenoxypropyl)guanidine
CID 111417555
4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile
CID 100844104
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 79071008
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile?
The IUPAC name of 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile (CID 95979245) is 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile.
What is the SMILES notation for 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile?
The canonical SMILES for 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile is CN1CCO[C@H](CNCCCOc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile?
The InChIKey is NIRYRCVGNTYJDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-8-10-21-16(13-19)12-18-7-2-9-20-15-5-3-14(11-17)4-6-15/h3-6,16,18H,2,7-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile?
4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile is sourced from PubChem (CID 95979245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).