2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine

C14H21F2NO — CID 80604708

IUPAC2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine
SMILESCCCNC(C)(c1ccccc1OCC)C(F)F
InChIInChI=1S/C14H21F2NO/c1-4-10-17-14(3,13(15)16)11-8-6-7-9-12(11)18-5-2/h6-9,13,17H,4-5,10H2,1-3H3
InChIKeyMIZAOATUELXLRH-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.57
Rot. Bonds7

About 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine

2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine (PubChem CID 80604708) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine
PubChem CID80604708
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine
SMILESCCCNC(C)(c1ccccc1OCC)C(F)F
InChIInChI=1S/C14H21F2NO/c1-4-10-17-14(3,13(15)16)11-8-6-7-9-12(11)18-5-2/h6-9,13,17H,4-5,10H2,1-3H3
InChIKeyMIZAOATUELXLRH-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenyl)-2-(propylamino)propan-1-ol
CID 61056385
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
1,1-difluoro-N-propyl-2-pyridin-2-ylpropan-2-amine
CID 80604591
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61002876
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
3-(2-ethoxyphenyl)-2-methylpentan-3-amine
CID 62802052

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine?
The IUPAC name of 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine (CID 80604708) is 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine is CCCNC(C)(c1ccccc1OCC)C(F)F.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine?
The InChIKey is MIZAOATUELXLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-10-17-14(3,13(15)16)11-8-6-7-9-12(11)18-5-2/h6-9,13,17H,4-5,10H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine?
2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine is sourced from PubChem (CID 80604708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).