3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol

C17H21FN2O — CID 62628781

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1cccc(F)c1)Cc1ccncc1
InChIInChI=1S/C17H21FN2O/c1-2-20(13-14-6-9-19-10-7-14)11-8-17(21)15-4-3-5-16(18)12-15/h3-7,9-10,12,17,21H,2,8,11,13H2,1H3
InChIKeyRXQYSCVEXSGGHP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.17
Rot. Bonds7

About 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol

3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol (PubChem CID 62628781) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
PubChem CID62628781
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1cccc(F)c1)Cc1ccncc1
InChIInChI=1S/C17H21FN2O/c1-2-20(13-14-6-9-19-10-7-14)11-8-17(21)15-4-3-5-16(18)12-15/h3-7,9-10,12,17,21H,2,8,11,13H2,1H3
InChIKeyRXQYSCVEXSGGHP-UHFFFAOYSA-N
XLogP3.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628587
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82074425
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 62630143
N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62612946
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
CID 55098979
3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073593
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol (CID 62628781) is 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol is CCN(CCC(O)c1cccc(F)c1)Cc1ccncc1.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is RXQYSCVEXSGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-2-20(13-14-6-9-19-10-7-14)11-8-17(21)15-4-3-5-16(18)12-15/h3-7,9-10,12,17,21H,2,8,11,13H2,1H3.
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol?
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 288.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62628781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).