2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile

C14H17FN2O — CID 113350351

IUPAC2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC2(CO)CCCC2)c1F
InChIInChI=1S/C14H17FN2O/c15-13-11(8-16)4-3-5-12(13)9-17-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2
InChIKeyWRJFWHQFDUZXQF-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.09
Rot. Bonds4

About 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile

2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile (PubChem CID 113350351) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile
PubChem CID113350351
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC2(CO)CCCC2)c1F
InChIInChI=1S/C14H17FN2O/c15-13-11(8-16)4-3-5-12(13)9-17-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2
InChIKeyWRJFWHQFDUZXQF-UHFFFAOYSA-N
XLogP2.09
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]benzonitrile
CID 106212220
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
1-N,1-N'-bis[(3-cyano-2-fluorophenyl)methyl]cyclobutane-1,1-dicarboxamide
CID 166220284
3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile
CID 62894414
3-[(1-adamantylamino)methyl]-2-fluorobenzonitrile
CID 107114332
3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
2-fluoro-3-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]benzonitrile
CID 114116356
[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733266
2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
CID 107114671
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
3-[[(2,2-dimethylcyclopropyl)amino]methyl]-2-fluorobenzonitrile
CID 107114531
3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 104579614

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile (CID 113350351) is 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile is N#Cc1cccc(CNC2(CO)CCCC2)c1F.
What is the InChIKey of 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile?
The InChIKey is WRJFWHQFDUZXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-13-11(8-16)4-3-5-12(13)9-17-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2.
What are the key properties of 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile?
2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile has a molecular weight of 248.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile is sourced from PubChem (CID 113350351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).