3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile

C15H17FN2O — CID 103580964

IUPAC3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(CNC2CCOC2C2CC2)c1F
InChIInChI=1S/C15H17FN2O/c16-14-11(8-17)2-1-3-12(14)9-18-13-6-7-19-15(13)10-4-5-10/h1-3,10,13,15,18H,4-7,9H2
InChIKeyHSTQMHOCWFJYQM-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.35
Rot. Bonds4

About 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile

3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile (PubChem CID 103580964) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile
PubChem CID103580964
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(CNC2CCOC2C2CC2)c1F
InChIInChI=1S/C15H17FN2O/c16-14-11(8-17)2-1-3-12(14)9-18-13-6-7-19-15(13)10-4-5-10/h1-3,10,13,15,18H,4-7,9H2
InChIKeyHSTQMHOCWFJYQM-UHFFFAOYSA-N
XLogP2.35
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 114118996
2-fluoro-3-[[(2-hydroxycycloheptyl)amino]methyl]benzonitrile
CID 107114776
2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
CID 107114541
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)oxolan-3-amine
CID 103864396
2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
CID 107114671
3-[[(2,2-dimethylcyclopropyl)amino]methyl]-2-fluorobenzonitrile
CID 107114531
3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 103864579
3-[(2-cyclopropylethylamino)methyl]-2-fluorobenzonitrile
CID 107114649
2-fluoro-3-[[(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 107114501
3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 107114657

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile?
The IUPAC name of 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile (CID 103580964) is 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile is N#Cc1cccc(CNC2CCOC2C2CC2)c1F.
What is the InChIKey of 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile?
The InChIKey is HSTQMHOCWFJYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-14-11(8-17)2-1-3-12(14)9-18-13-6-7-19-15(13)10-4-5-10/h1-3,10,13,15,18H,4-7,9H2.
What are the key properties of 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile?
3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile has a molecular weight of 260.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 103580964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).