5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile

C19H21FN2O — CID 119115289

IUPAC5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
SMILESN#CCCCCNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O/c20-19-10-3-2-8-17(19)15-23-18-9-6-7-16(13-18)14-22-12-5-1-4-11-21/h2-3,6-10,13,22H,1,4-5,12,14-15H2
InChIKeyRISGZKCXCSKRMW-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.19
Rot. Bonds9

About 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile

5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile (PubChem CID 119115289) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
PubChem CID119115289
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
SMILESN#CCCCCNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O/c20-19-10-3-2-8-17(19)15-23-18-9-6-7-16(13-18)14-22-12-5-1-4-11-21/h2-3,6-10,13,22H,1,4-5,12,14-15H2
InChIKeyRISGZKCXCSKRMW-UHFFFAOYSA-N
XLogP4.19
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.19
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'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
5-[[3-(3-cyanopropoxy)phenyl]methylamino]pentanenitrile
CID 119115335
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
5-[(3-methoxyphenyl)methylamino]pentanenitrile
CID 60690756
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
4-[3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 119109042
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid
CID 4720686
N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
CID 154512400

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile?
The IUPAC name of 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile (CID 119115289) is 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile.
What is the SMILES notation for 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile?
The canonical SMILES for 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile is N#CCCCCNCc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile?
The InChIKey is RISGZKCXCSKRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-19-10-3-2-8-17(19)15-23-18-9-6-7-16(13-18)14-22-12-5-1-4-11-21/h2-3,6-10,13,22H,1,4-5,12,14-15H2.
What are the key properties of 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile?
5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile has a molecular weight of 312.39 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile is sourced from PubChem (CID 119115289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).