2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine

C12H17F2NO — CID 103081199

IUPAC2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCOCC(F)F
InChIInChI=1S/C12H17F2NO/c1-10-4-2-3-5-11(10)8-15-6-7-16-9-12(13)14/h2-5,12,15H,6-9H2,1H3
InChIKeyTUZOGUBMCORWKF-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.37
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 103081199) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID103081199
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCOCC(F)F
InChIInChI=1S/C12H17F2NO/c1-10-4-2-3-5-11(10)8-15-6-7-16-9-12(13)14/h2-5,12,15H,6-9H2,1H3
InChIKeyTUZOGUBMCORWKF-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 114127458
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
2-(2,2-difluoroethoxy)-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 103080982
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 103080992
3-chloro-4-methoxy-N-[(2-methylphenyl)methyl]butan-1-amine
CID 106242611
2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
CID 103081223
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081168
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081267
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
CID 60956458

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine (CID 103081199) is 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CNCCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is TUZOGUBMCORWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-10-4-2-3-5-11(10)8-15-6-7-16-9-12(13)14/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 103081199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).