3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile

C15H21N3O2 — CID 60695641

IUPAC3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC(O)CN2CCOCC2)c1
InChIInChI=1S/C15H21N3O2/c16-9-13-2-1-3-14(8-13)10-17-11-15(19)12-18-4-6-20-7-5-18/h1-3,8,15,17,19H,4-7,10-12H2
InChIKeyUMUBATUCRMLDPD-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.34
Rot. Bonds6

About 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile

3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile (PubChem CID 60695641) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
PubChem CID60695641
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC(O)CN2CCOCC2)c1
InChIInChI=1S/C15H21N3O2/c16-9-13-2-1-3-14(8-13)10-17-11-15(19)12-18-4-6-20-7-5-18/h1-3,8,15,17,19H,4-7,10-12H2
InChIKeyUMUBATUCRMLDPD-UHFFFAOYSA-N
XLogP0.34
TPSA68.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 94182908
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172
3-[[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]methyl]benzonitrile
CID 119122330
3-[[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 38071417
3-[[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 47030764
1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60910058
3-[[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 56796595
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]benzonitrile
CID 60918103
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 60917979

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile (CID 60695641) is 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile is N#Cc1cccc(CNCC(O)CN2CCOCC2)c1.
What is the InChIKey of 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile?
The InChIKey is UMUBATUCRMLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-9-13-2-1-3-14(8-13)10-17-11-15(19)12-18-4-6-20-7-5-18/h1-3,8,15,17,19H,4-7,10-12H2.
What are the key properties of 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile?
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile has a molecular weight of 275.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile is sourced from PubChem (CID 60695641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).