2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine

C16H19BrN2O2 — CID 103524034

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(-c2ccc(OC)c(Br)c2OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-4-8-18-11-7-9-19-13(10-11)12-5-6-14(20-2)15(17)16(12)21-3/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyYUSZTIJJMVIEHX-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.35
Rot. Bonds6

About 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine

2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine (PubChem CID 103524034) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine
PubChem CID103524034
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(-c2ccc(OC)c(Br)c2OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-4-8-18-11-7-9-19-13(10-11)12-5-6-14(20-2)15(17)16(12)21-3/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyYUSZTIJJMVIEHX-UHFFFAOYSA-N
XLogP4.35
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine (CID 103524034) is 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine is CCCNc1ccnc(-c2ccc(OC)c(Br)c2OC)c1.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine?
The InChIKey is YUSZTIJJMVIEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-8-18-11-7-9-19-13(10-11)12-5-6-14(20-2)15(17)16(12)21-3/h5-7,9-10H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine?
2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine has a molecular weight of 351.24 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine is sourced from PubChem (CID 103524034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).