3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol

C13H20FNO2 — CID 64803556

IUPAC3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COc1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-3-8-15-13(2,9-16)10-17-12-6-4-11(14)5-7-12/h4-7,15-16H,3,8-10H2,1-2H3
InChIKeyXNZIGKVQTNAPSU-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.96
Rot. Bonds7

About 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol

3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 64803556) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
PubChem CID64803556
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COc1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-3-8-15-13(2,9-16)10-17-12-6-4-11(14)5-7-12/h4-7,15-16H,3,8-10H2,1-2H3
InChIKeyXNZIGKVQTNAPSU-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64806675
2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol
CID 64810615
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol
CID 107710127
4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
CID 61056815
2-methyl-4-(2-phenoxyethoxy)-2-(propylamino)butan-1-ol
CID 64803814
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252
4-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64821724

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol (CID 64803556) is 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)COc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is XNZIGKVQTNAPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-8-15-13(2,9-16)10-17-12-6-4-11(14)5-7-12/h4-7,15-16H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol?
3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64803556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).