1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine

C12H17F2NO — CID 82823295

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H17F2NO/c1-4-16-8(3)12(15)10-9(13)6-5-7(2)11(10)14/h5-6,8,12H,4,15H2,1-3H3
InChIKeyIQFUUQMNCIDCAK-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.70
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine

1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine (PubChem CID 82823295) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine
PubChem CID82823295
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H17F2NO/c1-4-16-8(3)12(15)10-9(13)6-5-7(2)11(10)14/h5-6,8,12H,4,15H2,1-3H3
InChIKeyIQFUUQMNCIDCAK-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
CID 106942519
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine
CID 116773344
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171264115
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-(2,6-difluoro-3-methylphenyl)-2,2-diethoxyethanol
CID 82822285
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264116
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1S,2R)-1-amino-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131531644
1-(3-bromo-2,6-difluorophenyl)-2,2-diethoxyethanamine
CID 106942803

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine (CID 82823295) is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine is CCOC(C)C(N)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine?
The InChIKey is IQFUUQMNCIDCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-4-16-8(3)12(15)10-9(13)6-5-7(2)11(10)14/h5-6,8,12H,4,15H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine is sourced from PubChem (CID 82823295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).