1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol

C16H19BrN2O — CID 12914022

IUPAC1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol
SMILESCN(C)CCC(O)(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C16H19BrN2O/c1-19(2)11-9-16(20,14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyYAYXSVOPNBARLP-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.03
Rot. Bonds5

About 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol

1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol (PubChem CID 12914022) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol
PubChem CID12914022
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol
SMILESCN(C)CCC(O)(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C16H19BrN2O/c1-19(2)11-9-16(20,14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyYAYXSVOPNBARLP-UHFFFAOYSA-N
XLogP3.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol (CID 12914022) is 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol is CN(C)CCC(O)(c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol?
The InChIKey is YAYXSVOPNBARLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-19(2)11-9-16(20,14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-8,10,12,20H,9,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol?
1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol has a molecular weight of 335.25 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(dimethylamino)-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 12914022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).