1-(2,4-difluorophenyl)-3-methoxypropan-2-amine

C10H13F2NO — CID 62196901

IUPAC1-(2,4-difluorophenyl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9H,4,6,13H2,1H3
InChIKeyBAKPKQVHOYVXNI-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.48
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine

1-(2,4-difluorophenyl)-3-methoxypropan-2-amine (PubChem CID 62196901) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methoxypropan-2-amine
PubChem CID62196901
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(2,4-difluorophenyl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9H,4,6,13H2,1H3
InChIKeyBAKPKQVHOYVXNI-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine (CID 62196901) is 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine is COCC(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine?
The InChIKey is BAKPKQVHOYVXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9H,4,6,13H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine?
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine has a molecular weight of 201.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine is sourced from PubChem (CID 62196901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).