4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol

C11H15F2NO2 — CID 64803462

IUPAC4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO2/c1-14-9(7-15)4-5-16-11-3-2-8(12)6-10(11)13/h2-3,6,9,14-15H,4-5,7H2,1H3
InChIKeyQSRQXNVZEMUOSW-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.31
Rot. Bonds6

About 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol

4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol (PubChem CID 64803462) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
PubChem CID64803462
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO2/c1-14-9(7-15)4-5-16-11-3-2-8(12)6-10(11)13/h2-3,6,9,14-15H,4-5,7H2,1H3
InChIKeyQSRQXNVZEMUOSW-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
2-amino-4-(2,4-difluorophenoxy)butanamide
CID 63038942
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
CID 89282398
CID 89282398
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol (CID 64803462) is 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol is CNC(CO)CCOc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol?
The InChIKey is QSRQXNVZEMUOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-14-9(7-15)4-5-16-11-3-2-8(12)6-10(11)13/h2-3,6,9,14-15H,4-5,7H2,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol?
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol has a molecular weight of 231.24 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64803462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).