1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol

C17H21FN2O — CID 83111517

IUPAC1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
SMILESCc1cc(C)cc(N(C)CCC(O)c2ccc(F)cn2)c1
InChIInChI=1S/C17H21FN2O/c1-12-8-13(2)10-15(9-12)20(3)7-6-17(21)16-5-4-14(18)11-19-16/h4-5,8-11,17,21H,6-7H2,1-3H3
InChIKeyUNVSMXFLNPXGEQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.40
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol

1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol (PubChem CID 83111517) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
PubChem CID83111517
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
SMILESCc1cc(C)cc(N(C)CCC(O)c2ccc(F)cn2)c1
InChIInChI=1S/C17H21FN2O/c1-12-8-13(2)10-15(9-12)20(3)7-6-17(21)16-5-4-14(18)11-19-16/h4-5,8-11,17,21H,6-7H2,1-3H3
InChIKeyUNVSMXFLNPXGEQ-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 83109313
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 83111329
3-[(3-chlorophenyl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83110765
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 83126811
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol (CID 83111517) is 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol is Cc1cc(C)cc(N(C)CCC(O)c2ccc(F)cn2)c1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The InChIKey is UNVSMXFLNPXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-8-13(2)10-15(9-12)20(3)7-6-17(21)16-5-4-14(18)11-19-16/h4-5,8-11,17,21H,6-7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol has a molecular weight of 288.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol is sourced from PubChem (CID 83111517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).