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

C16H19FN2O — CID 62630143

IUPAC1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cc1)Cc1ccncc1
InChIInChI=1S/C16H19FN2O/c1-19(12-13-6-9-18-10-7-13)11-8-16(20)14-2-4-15(17)5-3-14/h2-7,9-10,16,20H,8,11-12H2,1H3
InChIKeyUSMRANKHHKGYFQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.78
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol (PubChem CID 62630143) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
PubChem CID62630143
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cc1)Cc1ccncc1
InChIInChI=1S/C16H19FN2O/c1-19(12-13-6-9-18-10-7-13)11-8-16(20)14-2-4-15(17)5-3-14/h2-7,9-10,16,20H,8,11-12H2,1H3
InChIKeyUSMRANKHHKGYFQ-UHFFFAOYSA-N
XLogP2.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
1-(4-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62630002
1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 110830648
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(4-fluorophenyl)-2-(4-pyridin-4-ylphenyl)ethanol
CID 67902820

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol (CID 62630143) is 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol is CN(CCC(O)c1ccc(F)cc1)Cc1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
The InChIKey is USMRANKHHKGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(12-13-6-9-18-10-7-13)11-8-16(20)14-2-4-15(17)5-3-14/h2-7,9-10,16,20H,8,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 62630143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).