4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol

C12H18FNO2 — CID 64856313

IUPAC4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO2/c1-9-3-4-11(13)12(7-9)16-6-5-10(8-15)14-2/h3-4,7,10,14-15H,5-6,8H2,1-2H3
InChIKeyNRALLJDFQLNLEG-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.48
Rot. Bonds6

About 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol

4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol (PubChem CID 64856313) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
PubChem CID64856313
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO2/c1-9-3-4-11(13)12(7-9)16-6-5-10(8-15)14-2/h3-4,7,10,14-15H,5-6,8H2,1-2H3
InChIKeyNRALLJDFQLNLEG-UHFFFAOYSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64811237
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
CID 64803973
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol (CID 64856313) is 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol is CNC(CO)CCOc1cc(C)ccc1F.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol?
The InChIKey is NRALLJDFQLNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9-3-4-11(13)12(7-9)16-6-5-10(8-15)14-2/h3-4,7,10,14-15H,5-6,8H2,1-2H3.
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol?
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64856313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).