1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol

C14H17FN2O2 — CID 83126811

IUPAC1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cn1)Cc1ccoc1
InChIInChI=1S/C14H17FN2O2/c1-17(9-11-5-7-19-10-11)6-4-14(18)13-3-2-12(15)8-16-13/h2-3,5,7-8,10,14,18H,4,6,9H2,1H3
InChIKeyVFAZKOGLVVHCKE-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.37
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol (PubChem CID 83126811) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
PubChem CID83126811
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cn1)Cc1ccoc1
InChIInChI=1S/C14H17FN2O2/c1-17(9-11-5-7-19-10-11)6-4-14(18)13-3-2-12(15)8-16-13/h2-3,5,7-8,10,14,18H,4,6,9H2,1H3
InChIKeyVFAZKOGLVVHCKE-UHFFFAOYSA-N
XLogP2.37
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
3-[(3-chlorophenyl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83110765
1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115941314
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 83111329
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 83126451
1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol
CID 83111321
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
CID 115886247
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol (CID 83126811) is 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol is CN(CCC(O)c1ccc(F)cn1)Cc1ccoc1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
The InChIKey is VFAZKOGLVVHCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-17(9-11-5-7-19-10-11)6-4-14(18)13-3-2-12(15)8-16-13/h2-3,5,7-8,10,14,18H,4,6,9H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol has a molecular weight of 264.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 83126811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).