3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile

C20H23N3O — CID 56810364

IUPAC3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C20H23N3O/c21-12-18-7-4-8-19(11-18)13-22-14-20-16-23(9-10-24-20)15-17-5-2-1-3-6-17/h1-8,11,20,22H,9-10,13-16H2
InChIKeyJGZBBQLVJISWLC-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.55
Rot. Bonds6

About 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile

3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile (PubChem CID 56810364) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
PubChem CID56810364
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C20H23N3O/c21-12-18-7-4-8-19(11-18)13-22-14-20-16-23(9-10-24-20)15-17-5-2-1-3-6-17/h1-8,11,20,22H,9-10,13-16H2
InChIKeyJGZBBQLVJISWLC-UHFFFAOYSA-N
XLogP2.55
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519
1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
3-[(1,4-dioxan-2-ylmethylamino)methyl]benzonitrile
CID 54893348
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
CID 24546062
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
4-acetyl-2-[(4-benzylmorpholin-2-yl)methylamino]benzonitrile
CID 133465937

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile (CID 56810364) is 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile is N#Cc1cccc(CNCC2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile?
The InChIKey is JGZBBQLVJISWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-12-18-7-4-8-19(11-18)13-22-14-20-16-23(9-10-24-20)15-17-5-2-1-3-6-17/h1-8,11,20,22H,9-10,13-16H2.
What are the key properties of 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile?
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile has a molecular weight of 321.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 56810364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).