2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile

C13H17FN2O — CID 14771653

IUPAC2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile
SMILESN#CC(N)(CF)CCCOCc1ccccc1
InChIInChI=1S/C13H17FN2O/c14-10-13(16,11-15)7-4-8-17-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-10,16H2
InChIKeyILZZWRJCTYOMCH-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.17
Rot. Bonds7

About 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile

2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile (PubChem CID 14771653) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile
PubChem CID14771653
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile
SMILESN#CC(N)(CF)CCCOCc1ccccc1
InChIInChI=1S/C13H17FN2O/c14-10-13(16,11-15)7-4-8-17-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-10,16H2
InChIKeyILZZWRJCTYOMCH-UHFFFAOYSA-N
XLogP2.17
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.17
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

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CID 80620
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2-(Benzyloxy)acetonitrile
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4-(Benzyloxy)butanenitrile
CID 20458213
1-[2-(Benzyloxy)ethyl]cyclopropan-1-amine
CID 10997842
gamma-(1-Methylethoxy)benzenebutanenitrile
CID 97973
1-(Benzyloxy)-2-methylpropan-2-amine hydrochloride
CID 69359032
1-((Benzyloxy)methyl)cyclopropanamine
CID 10954072
Pentanedinitrile, 3-(phenylmethoxy)-
CID 11117064
2-Fluoro-2-phenylmethoxycyclopropane-1-carbonitrile
CID 14763608
(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile
CID 155935723
(S)-4-(benzyloxy)-3-methylbutanenitrile
CID 11206268

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile?
The IUPAC name of 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile (CID 14771653) is 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile?
The canonical SMILES for 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile is N#CC(N)(CF)CCCOCc1ccccc1.
What is the InChIKey of 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile?
The InChIKey is ILZZWRJCTYOMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-10-13(16,11-15)7-4-8-17-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-10,16H2.
What are the key properties of 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile?
2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile has a molecular weight of 236.29 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile is sourced from PubChem (CID 14771653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).