2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile

C15H19FN2O — CID 103758414

IUPAC2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccc(F)c(C#N)c1)CC1CCCCO1
InChIInChI=1S/C15H19FN2O/c1-18(11-14-4-2-3-7-19-14)10-12-5-6-15(16)13(8-12)9-17/h5-6,8,14H,2-4,7,10-11H2,1H3
InChIKeySEWPOTMPJYTJMK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.70
Rot. Bonds4

About 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile

2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile (PubChem CID 103758414) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
PubChem CID103758414
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccc(F)c(C#N)c1)CC1CCCCO1
InChIInChI=1S/C15H19FN2O/c1-18(11-14-4-2-3-7-19-14)10-12-5-6-15(16)13(8-12)9-17/h5-6,8,14H,2-4,7,10-11H2,1H3
InChIKeySEWPOTMPJYTJMK-UHFFFAOYSA-N
XLogP2.70
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103758489
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4-(3-cyano-4-fluorophenyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzamide
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N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-fluorobenzonitrile
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2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
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2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile (CID 103758414) is 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile is CN(Cc1ccc(F)c(C#N)c1)CC1CCCCO1.
What is the InChIKey of 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile?
The InChIKey is SEWPOTMPJYTJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-18(11-14-4-2-3-7-19-14)10-12-5-6-15(16)13(8-12)9-17/h5-6,8,14H,2-4,7,10-11H2,1H3.
What are the key properties of 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile?
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 103758414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).