1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine

C11H15F2NO — CID 80604791

IUPAC1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
SMILESCCOc1ccc(C(NC)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-3-15-9-6-4-8(5-7-9)10(14-2)11(12)13/h4-7,10-11,14H,3H2,1-2H3
InChIKeyPUQVZJOGWCHFNF-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine

1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine (PubChem CID 80604791) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
PubChem CID80604791
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
SMILESCCOc1ccc(C(NC)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-3-15-9-6-4-8(5-7-9)10(14-2)11(12)13/h4-7,10-11,14H,3H2,1-2H3
InChIKeyPUQVZJOGWCHFNF-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
2-amino-3-(4-ethoxyphenyl)-3-(methylamino)propanoic acid
CID 116957355
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
2-(4-ethoxyphenyl)propanedial
CID 3698706
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
CID 115853346
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine (CID 80604791) is 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine is CCOc1ccc(C(NC)C(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is PUQVZJOGWCHFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-15-9-6-4-8(5-7-9)10(14-2)11(12)13/h4-7,10-11,14H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine?
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 80604791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).