2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile

C17H22FN3O — CID 129344122

IUPAC2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile
SMILESCN(CC1CC1)C[C@@H]1CN(c2cccc(F)c2C#N)CCO1
InChIInChI=1S/C17H22FN3O/c1-20(10-13-5-6-13)11-14-12-21(7-8-22-14)17-4-2-3-16(18)15(17)9-19/h2-4,13-14H,5-8,10-12H2,1H3/t14-/m1/s1
InChIKeyYNTZSXRQURLSPC-CQSZACIVSA-N
MW303.38 g/mol
LogP2.24
Rot. Bonds5

About 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile

2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile (PubChem CID 129344122) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile
PubChem CID129344122
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile
SMILESCN(CC1CC1)C[C@@H]1CN(c2cccc(F)c2C#N)CCO1
InChIInChI=1S/C17H22FN3O/c1-20(10-13-5-6-13)11-14-12-21(7-8-22-14)17-4-2-3-16(18)15(17)9-19/h2-4,13-14H,5-8,10-12H2,1H3/t14-/m1/s1
InChIKeyYNTZSXRQURLSPC-CQSZACIVSA-N
XLogP2.24
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile (CID 129344122) is 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile is CN(CC1CC1)C[C@@H]1CN(c2cccc(F)c2C#N)CCO1.
What is the InChIKey of 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile?
The InChIKey is YNTZSXRQURLSPC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-20(10-13-5-6-13)11-14-12-21(7-8-22-14)17-4-2-3-16(18)15(17)9-19/h2-4,13-14H,5-8,10-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile?
2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile has a molecular weight of 303.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 129344122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).