4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol

C14H22FNO2 — CID 64898881

IUPAC4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1cc(C)ccc1F
InChIInChI=1S/C14H22FNO2/c1-3-7-16-12(6-8-17)10-18-14-9-11(2)4-5-13(14)15/h4-5,9,12,16-17H,3,6-8,10H2,1-2H3
InChIKeyWTAIINUBQVMVDI-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.26
Rot. Bonds8

About 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol

4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol (PubChem CID 64898881) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
PubChem CID64898881
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1cc(C)ccc1F
InChIInChI=1S/C14H22FNO2/c1-3-7-16-12(6-8-17)10-18-14-9-11(2)4-5-13(14)15/h4-5,9,12,16-17H,3,6-8,10H2,1-2H3
InChIKeyWTAIINUBQVMVDI-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
CID 64804340
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
CID 64805164
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol
CID 64900145
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol (CID 64898881) is 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol is CCCNC(CCO)COc1cc(C)ccc1F.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol?
The InChIKey is WTAIINUBQVMVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-7-16-12(6-8-17)10-18-14-9-11(2)4-5-13(14)15/h4-5,9,12,16-17H,3,6-8,10H2,1-2H3.
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol?
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 2.26, 8 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)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).