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

C10H13F2NO2 — CID 107506506

IUPAC1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine
SMILESCOCC(N)COc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2/c1-14-5-8(13)6-15-10-3-2-7(11)4-9(10)12/h2-4,8H,5-6,13H2,1H3
InChIKeyAZPQDGWNWRIWDY-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.32
Rot. Bonds5

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

1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine (PubChem CID 107506506) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine
PubChem CID107506506
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine
SMILESCOCC(N)COc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2/c1-14-5-8(13)6-15-10-3-2-7(11)4-9(10)12/h2-4,8H,5-6,13H2,1H3
InChIKeyAZPQDGWNWRIWDY-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
CID 62318724
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
CID 62319637
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
CID 89282398
CID 89282398
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
(1R)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 130731385

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine (CID 107506506) is 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine is COCC(N)COc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine?
The InChIKey is AZPQDGWNWRIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-14-5-8(13)6-15-10-3-2-7(11)4-9(10)12/h2-4,8H,5-6,13H2,1H3.
What are the key properties of 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine?
1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine has a molecular weight of 217.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine is sourced from PubChem (CID 107506506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).