2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile

C16H15FN2O — CID 43221050

IUPAC2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c17-16-4-2-1-3-14(16)12-19-11-13-5-7-15(8-6-13)20-10-9-18/h1-8,19H,10-12H2
InChIKeyXVHIDELCQRQQCF-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.02
Rot. Bonds6

About 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile

2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile (PubChem CID 43221050) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile
PubChem CID43221050
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c17-16-4-2-1-3-14(16)12-19-11-13-5-7-15(8-6-13)20-10-9-18/h1-8,19H,10-12H2
InChIKeyXVHIDELCQRQQCF-UHFFFAOYSA-N
XLogP3.02
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile
CID 43221883
3-[[4-(cyanomethoxy)phenyl]methylamino]propanenitrile
CID 43221535
2-[4-[[(3-chlorophenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60657586
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
2-[4-[(prop-2-ynylamino)methyl]phenoxy]acetonitrile
CID 43221239
3-fluoro-4-[[(4-methoxyphenyl)methylamino]methyl]benzonitrile
CID 28575352
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
2-[4-[(3,5-difluoroanilino)methyl]phenoxy]acetonitrile
CID 43764961
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4718833
2-[4-[(1H-imidazol-2-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63821073
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 112606585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile (CID 43221050) is 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile is N#CCOc1ccc(CNCc2ccccc2F)cc1.
What is the InChIKey of 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile?
The InChIKey is XVHIDELCQRQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-16-4-2-1-3-14(16)12-19-11-13-5-7-15(8-6-13)20-10-9-18/h1-8,19H,10-12H2.
What are the key properties of 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile?
2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 43221050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).