4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile

C14H19FN2O2 — CID 107696907

IUPAC4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
SMILESCOCCNCc1cc(F)ccc1OCCCC#N
InChIInChI=1S/C14H19FN2O2/c1-18-9-7-17-11-12-10-13(15)4-5-14(12)19-8-3-2-6-16/h4-5,10,17H,2-3,7-9,11H2,1H3
InChIKeyYZEWHKXDOCEULJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.24
Rot. Bonds9

About 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile

4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile (PubChem CID 107696907) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile.

Molecular Properties

Compound Name4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
PubChem CID107696907
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
SMILESCOCCNCc1cc(F)ccc1OCCCC#N
InChIInChI=1S/C14H19FN2O2/c1-18-9-7-17-11-12-10-13(15)4-5-14(12)19-8-3-2-6-16/h4-5,10,17H,2-3,7-9,11H2,1H3
InChIKeyYZEWHKXDOCEULJ-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956
5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63063532
5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol
CID 107696990
N-[[2-(3-ethylsulfanylpropoxy)-5-fluorophenyl]methyl]-2-methoxyethanamine
CID 107696885
N-[[5-fluoro-2-(2-methoxypropoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697107
N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696982
N-[[5-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696997
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135
5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63058679
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
N-[[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697144
4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 63057649

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
The IUPAC name of 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile (CID 107696907) is 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile.
What is the SMILES notation for 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
The canonical SMILES for 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile is COCCNCc1cc(F)ccc1OCCCC#N.
What is the InChIKey of 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
The InChIKey is YZEWHKXDOCEULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-18-9-7-17-11-12-10-13(15)4-5-14(12)19-8-3-2-6-16/h4-5,10,17H,2-3,7-9,11H2,1H3.
What are the key properties of 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile has a molecular weight of 266.32 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile is sourced from PubChem (CID 107696907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).