5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile

C15H19FN2O — CID 107696379

IUPAC5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
SMILESN#CCCCCOc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H19FN2O/c16-13-4-7-15(19-9-3-1-2-8-17)12(10-13)11-18-14-5-6-14/h4,7,10,14,18H,1-3,5-6,9,11H2
InChIKeyAAPQTRZIYNTBJB-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.15
Rot. Bonds8

About 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile

5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile (PubChem CID 107696379) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile.

Molecular Properties

Compound Name5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
PubChem CID107696379
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
SMILESN#CCCCCOc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H19FN2O/c16-13-4-7-15(19-9-3-1-2-8-17)12(10-13)11-18-14-5-6-14/h4,7,10,14,18H,1-3,5-6,9,11H2
InChIKeyAAPQTRZIYNTBJB-UHFFFAOYSA-N
XLogP3.15
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
5-[2-(chloromethyl)-4-fluorophenoxy]pentanenitrile
CID 107698739
4-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107696474
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107696269
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
CID 107696406
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile?
The IUPAC name of 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile (CID 107696379) is 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile.
What is the SMILES notation for 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile?
The canonical SMILES for 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile is N#CCCCCOc1ccc(F)cc1CNC1CC1.
What is the InChIKey of 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile?
The InChIKey is AAPQTRZIYNTBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-4-7-15(19-9-3-1-2-8-17)12(10-13)11-18-14-5-6-14/h4,7,10,14,18H,1-3,5-6,9,11H2.
What are the key properties of 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile?
5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile has a molecular weight of 262.33 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile is sourced from PubChem (CID 107696379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).