2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile

C14H19FN2O — CID 14579486

IUPAC2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile
SMILESN#CC(N)(CF)CCCCOCc1ccccc1
InChIInChI=1S/C14H19FN2O/c15-11-14(17,12-16)8-4-5-9-18-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,17H2
InChIKeyHSSDCFPQMZJVDT-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds8

About 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile

2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile (PubChem CID 14579486) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile
PubChem CID14579486
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile
SMILESN#CC(N)(CF)CCCCOCc1ccccc1
InChIInChI=1S/C14H19FN2O/c15-11-14(17,12-16)8-4-5-9-18-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,17H2
InChIKeyHSSDCFPQMZJVDT-UHFFFAOYSA-N
XLogP2.56
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.56
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

(2S)-4-methyl-2-(2-phenylmethoxyethyl)pentanenitrile
CID 73332993
2-Fluoromethyl-2-amino-5-benzyloxypentanenitrile
CID 14771653
4-(2-Fluoroethoxymethyl)benzonitrile
CID 15058781
4-Benzyloxy-2-fluorobutyronitrile
CID 20149458
2-Amino-5-(benzyloxy)-2-(difluoromethyl)pentanenitrile
CID 20482003
2-Amino-2-(difluoromethyl)-6-phenylmethoxyhexanenitrile
CID 20487180
2-Amino-2-(fluoromethyl)-3-methylidene-5-phenylmethoxypentanenitrile
CID 54063830
2-Amino-2-(difluoromethyl)-3-methylidene-5-phenylmethoxypentanenitrile
CID 54338448
1-((4-Fluorobenzyl)oxy)-2-methylpropan-2-amine
CID 64537816
1-[(2-Fluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64538007
5-[(4-Fluorophenyl)methoxy]pentane-1,4-diamine
CID 69283620
2-Amino-2-(difluoromethyl)-3-methylidene-4-phenylmethoxypentanenitrile
CID 70509934

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile?
The IUPAC name of 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile (CID 14579486) is 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile?
The canonical SMILES for 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile is N#CC(N)(CF)CCCCOCc1ccccc1.
What is the InChIKey of 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile?
The InChIKey is HSSDCFPQMZJVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-11-14(17,12-16)8-4-5-9-18-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,17H2.
What are the key properties of 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile?
2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile has a molecular weight of 250.32 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile is sourced from PubChem (CID 14579486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).