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

C16H21N3O — CID 95322212

IUPAC3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC[C@@H]2CN(C3CC3)CCO2)c1
InChIInChI=1S/C16H21N3O/c17-9-13-2-1-3-14(8-13)10-18-11-16-12-19(6-7-20-16)15-4-5-15/h1-3,8,15-16,18H,4-7,10-12H2/t16-/m1/s1
InChIKeyGHFXTPADFFRKQC-MRXNPFEDSA-N
MW271.36 g/mol
LogP1.51
Rot. Bonds5

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

3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile (PubChem CID 95322212) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
PubChem CID95322212
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC[C@@H]2CN(C3CC3)CCO2)c1
InChIInChI=1S/C16H21N3O/c17-9-13-2-1-3-14(8-13)10-18-11-16-12-19(6-7-20-16)15-4-5-15/h1-3,8,15-16,18H,4-7,10-12H2/t16-/m1/s1
InChIKeyGHFXTPADFFRKQC-MRXNPFEDSA-N
XLogP1.51
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
CID 119124635
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
3-[(1,4-dioxan-2-ylmethylamino)methyl]benzonitrile
CID 54893348
4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile
CID 124545796
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 119124636
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
1-(4-cyclopropylmorpholin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 119124707
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile (CID 95322212) is 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile is N#Cc1cccc(CNC[C@@H]2CN(C3CC3)CCO2)c1.
What is the InChIKey of 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile?
The InChIKey is GHFXTPADFFRKQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O/c17-9-13-2-1-3-14(8-13)10-18-11-16-12-19(6-7-20-16)15-4-5-15/h1-3,8,15-16,18H,4-7,10-12H2/t16-/m1/s1.
What are the key properties of 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile?
3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile has a molecular weight of 271.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile is sourced from PubChem (CID 95322212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).