2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile

C14H17FN2O2 — CID 103758507

IUPAC2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile
SMILESN#Cc1cc(CNC2(CO)CCOCC2)ccc1F
InChIInChI=1S/C14H17FN2O2/c15-13-2-1-11(7-12(13)8-16)9-17-14(10-18)3-5-19-6-4-14/h1-2,7,17-18H,3-6,9-10H2
InChIKeyHVWDGDTYDRKEOE-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.33
Rot. Bonds4

About 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile

2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile (PubChem CID 103758507) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile
PubChem CID103758507
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile
SMILESN#Cc1cc(CNC2(CO)CCOCC2)ccc1F
InChIInChI=1S/C14H17FN2O2/c15-13-2-1-11(7-12(13)8-16)9-17-14(10-18)3-5-19-6-4-14/h1-2,7,17-18H,3-6,9-10H2
InChIKeyHVWDGDTYDRKEOE-UHFFFAOYSA-N
XLogP1.33
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[[(4-methyloxan-4-yl)amino]methyl]benzonitrile
CID 107880462
[4-[(3,5-difluorophenyl)methylamino]oxan-4-yl]methanol
CID 113338447
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
[4-[(3-bromo-5-fluorophenyl)methylamino]oxan-4-yl]methanol
CID 113249833
5-[[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)amino]methyl]-2-fluorobenzonitrile
CID 122140204
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
2-fluoro-5-(2-hydroxyethyl)benzonitrile
CID 83390737
2-fluoro-5-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 103860002
5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]furan-2-carboxylic acid
CID 106297075
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
CID 115763060

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile (CID 103758507) is 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile is N#Cc1cc(CNC2(CO)CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile?
The InChIKey is HVWDGDTYDRKEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-13-2-1-11(7-12(13)8-16)9-17-14(10-18)3-5-19-6-4-14/h1-2,7,17-18H,3-6,9-10H2.
What are the key properties of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile?
2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile has a molecular weight of 264.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 103758507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).