1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol

C19H24FNO2 — CID 119142093

IUPAC1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol
SMILESCC(CCNCC(O)COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H24FNO2/c1-15(16-5-3-2-4-6-16)11-12-21-13-18(22)14-23-19-9-7-17(20)8-10-19/h2-10,15,18,21-22H,11-14H2,1H3
InChIKeyYHWZMOOSNOBEGI-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.35
Rot. Bonds9

About 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol

1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol (PubChem CID 119142093) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol
PubChem CID119142093
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol
SMILESCC(CCNCC(O)COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H24FNO2/c1-15(16-5-3-2-4-6-16)11-12-21-13-18(22)14-23-19-9-7-17(20)8-10-19/h2-10,15,18,21-22H,11-14H2,1H3
InChIKeyYHWZMOOSNOBEGI-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.35
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

N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol (CID 119142093) is 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol is CC(CCNCC(O)COc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol?
The InChIKey is YHWZMOOSNOBEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-15(16-5-3-2-4-6-16)11-12-21-13-18(22)14-23-19-9-7-17(20)8-10-19/h2-10,15,18,21-22H,11-14H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol?
1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol has a molecular weight of 317.40 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol is sourced from PubChem (CID 119142093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).