(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine

C11H15F2NO — CID 28973362

IUPAC(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc([C@@H](N)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-7(2)15-9-5-3-8(4-6-9)10(14)11(12)13/h3-7,10-11H,14H2,1-2H3/t10-/m1/s1
InChIKeyHGXVGNVJKUAXCX-SNVBAGLBSA-N
MW215.24 g/mol
LogP2.74
Rot. Bonds4

About (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine

(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 28973362) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID28973362
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc([C@@H](N)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-7(2)15-9-5-3-8(4-6-9)10(14)11(12)13/h3-7,10-11H,14H2,1-2H3/t10-/m1/s1
InChIKeyHGXVGNVJKUAXCX-SNVBAGLBSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
(1R,2S)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171264340
(1S,2R)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171270016
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine (CID 28973362) is (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc([C@@H](N)C(F)F)cc1.
What is the InChIKey of (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is HGXVGNVJKUAXCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(2)15-9-5-3-8(4-6-9)10(14)11(12)13/h3-7,10-11H,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine?
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 28973362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).