1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol

C13H20FNO2 — CID 60634200

IUPAC1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COCc1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-2-7-15-8-12(16)10-17-9-11-5-3-4-6-13(11)14/h3-6,12,15-16H,2,7-10H2,1H3
InChIKeyNSONBBOOYWILJG-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.70
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol (PubChem CID 60634200) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
PubChem CID60634200
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COCc1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-2-7-15-8-12(16)10-17-9-11-5-3-4-6-13(11)14/h3-6,12,15-16H,2,7-10H2,1H3
InChIKeyNSONBBOOYWILJG-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
1-ethoxy-3-[2-(2-fluorophenyl)ethylamino]propan-2-ol
CID 63932742
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
1-[(2-fluorophenyl)methoxy]-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 60897038
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
CID 63935309
(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 2314442

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol (CID 60634200) is 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol is CCCNCC(O)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol?
The InChIKey is NSONBBOOYWILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-2-7-15-8-12(16)10-17-9-11-5-3-4-6-13(11)14/h3-6,12,15-16H,2,7-10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 60634200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).