2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile

C14H17F3N2O — CID 103367080

IUPAC2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCOCc1ccccc1CNCC(C#N)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-2-20-10-12-6-4-3-5-11(12)8-19-9-13(7-18)14(15,16)17/h3-6,13,19H,2,8-10H2,1H3
InChIKeyDQEBAOIEWJMOBD-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.01
Rot. Bonds7

About 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile

2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367080) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367080
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCOCc1ccccc1CNCC(C#N)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-2-20-10-12-6-4-3-5-11(12)8-19-9-13(7-18)14(15,16)17/h3-6,13,19H,2,8-10H2,1H3
InChIKeyDQEBAOIEWJMOBD-UHFFFAOYSA-N
XLogP3.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethoxymethyl)phenyl]methylcyanamide
CID 62481050
2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
CID 103240297
3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)ethylamino]methyl]propanenitrile
CID 106261499
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413
N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60924648
3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025752
3,3,3-trifluoro-2-[[(3-methoxyphenyl)methylamino]methyl]propanenitrile
CID 103367069
3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
CID 103366989
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
1-[[2-(ethoxymethyl)phenyl]methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111847922
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
3,3,3-trifluoro-2-[[2-(methylaminomethyl)phenoxy]methyl]propanenitrile
CID 106484665

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367080) is 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile is CCOCc1ccccc1CNCC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is DQEBAOIEWJMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-20-10-12-6-4-3-5-11(12)8-19-9-13(7-18)14(15,16)17/h3-6,13,19H,2,8-10H2,1H3.
What are the key properties of 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 286.30 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).