N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine

C12H17F2NO — CID 10082529

IUPACN-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccccc1OC
InChIInChI=1S/C12H17F2NO/c1-4-15(5-2)12(13,14)10-8-6-7-9-11(10)16-3/h6-9H,4-5H2,1-3H3
InChIKeyVZKUFIRENNMIEJ-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.09
Rot. Bonds5

About N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine

N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine (PubChem CID 10082529) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
PubChem CID10082529
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccccc1OC
InChIInChI=1S/C12H17F2NO/c1-4-15(5-2)12(13,14)10-8-6-7-9-11(10)16-3/h6-9H,4-5H2,1-3H3
InChIKeyVZKUFIRENNMIEJ-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
CID 115022771
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 105483183
3-chloro-1,1-difluoro-1-(2-methoxyphenyl)propan-2-one
CID 91927385
3-(2-methoxyphenyl)-N-methylpentan-3-amine
CID 163486951
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 105468433
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994

Frequently Asked Questions

What is the IUPAC name of N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine (CID 10082529) is N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine is CCN(CC)C(F)(F)c1ccccc1OC.
What is the InChIKey of N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine?
The InChIKey is VZKUFIRENNMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-4-15(5-2)12(13,14)10-8-6-7-9-11(10)16-3/h6-9H,4-5H2,1-3H3.
What are the key properties of N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine?
N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine has a molecular weight of 229.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 10082529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).