2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile

C14H19FN2O — CID 70550545

IUPAC2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile
SMILESCCCC(OCc1ccccc1)C(N)(C#N)CF
InChIInChI=1S/C14H19FN2O/c1-2-6-13(14(17,10-15)11-16)18-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-10,17H2,1H3
InChIKeyXQVMOGQBEIMOEB-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds7

About 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile

2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile (PubChem CID 70550545) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile
PubChem CID70550545
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile
SMILESCCCC(OCc1ccccc1)C(N)(C#N)CF
InChIInChI=1S/C14H19FN2O/c1-2-6-13(14(17,10-15)11-16)18-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-10,17H2,1H3
InChIKeyXQVMOGQBEIMOEB-UHFFFAOYSA-N
XLogP2.56
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

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Pentanedinitrile, 3-(phenylmethoxy)-
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2-(3-Fluorophenyl)-2-methoxyacetonitrile
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2-(4-Fluorophenyl)-2-methoxyacetonitrile
CID 56828113
2-Ethoxy-2-phenylethan-1-amine hydrochloride
CID 86811724
(2R)-4,4,4-trifluoro-2-phenylmethoxybutanenitrile
CID 155935723
cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine
CID 76850585
3-Phenylmethoxypentanenitrile
CID 11355954
2-Phenyl-2-propan-2-yloxyacetonitrile
CID 12337912
2-Amino-1-diphenylmethoxy-2-methylpropane
CID 19775302

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile?
The IUPAC name of 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile (CID 70550545) is 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile?
The canonical SMILES for 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile is CCCC(OCc1ccccc1)C(N)(C#N)CF.
What is the InChIKey of 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile?
The InChIKey is XQVMOGQBEIMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-6-13(14(17,10-15)11-16)18-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-10,17H2,1H3.
What are the key properties of 2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile?
2-amino-2-(fluoromethyl)-3-phenylmethoxyhexanenitrile has a molecular weight of 250.32 g/mol, XLogP of 2.56, 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)-3-phenylmethoxyhexanenitrile is sourced from PubChem (CID 70550545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).