1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol

C17H21FN2O2 — CID 75382914

IUPAC1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC(C)c2cncc(F)c2)c1
InChIInChI=1S/C17H21FN2O2/c1-12-4-3-5-17(6-12)22-11-16(21)10-20-13(2)14-7-15(18)9-19-8-14/h3-9,13,16,20-21H,10-11H2,1-2H3
InChIKeyULMQETKSWYHRPR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.62
Rot. Bonds7

About 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol

1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 75382914) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID75382914
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC(C)c2cncc(F)c2)c1
InChIInChI=1S/C17H21FN2O2/c1-12-4-3-5-17(6-12)22-11-16(21)10-20-13(2)14-7-15(18)9-19-8-14/h3-9,13,16,20-21H,10-11H2,1-2H3
InChIKeyULMQETKSWYHRPR-UHFFFAOYSA-N
XLogP2.62
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-(3-nitrophenoxy)propan-2-ol
CID 8009094
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol (CID 75382914) is 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNC(C)c2cncc(F)c2)c1.
What is the InChIKey of 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is ULMQETKSWYHRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12-4-3-5-17(6-12)22-11-16(21)10-20-13(2)14-7-15(18)9-19-8-14/h3-9,13,16,20-21H,10-11H2,1-2H3.
What are the key properties of 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 304.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 75382914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).