1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol

C18H22F2N2O — CID 82074425

IUPAC1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H22F2N2O/c1-2-22(11-7-14-5-9-21-10-6-14)12-8-18(23)15-3-4-16(19)17(20)13-15/h3-6,9-10,13,18,23H,2,7-8,11-12H2,1H3
InChIKeyZQEOAPAUVYKEDM-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.35
Rot. Bonds8

About 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol

1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol (PubChem CID 82074425) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
PubChem CID82074425
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H22F2N2O/c1-2-22(11-7-14-5-9-21-10-6-14)12-8-18(23)15-3-4-16(19)17(20)13-15/h3-6,9-10,13,18,23H,2,7-8,11-12H2,1H3
InChIKeyZQEOAPAUVYKEDM-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074199
1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82071464
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 82074473
1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82136106
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol (CID 82074425) is 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol is CCN(CCc1ccncc1)CCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The InChIKey is ZQEOAPAUVYKEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c1-2-22(11-7-14-5-9-21-10-6-14)12-8-18(23)15-3-4-16(19)17(20)13-15/h3-6,9-10,13,18,23H,2,7-8,11-12H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol has a molecular weight of 320.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 82074425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).