3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine

C13H19BrN2O2 — CID 164629876

IUPAC3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
SMILESCOc1cnc(N(C)C[C@H]2CCCOC2)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-16(8-10-4-3-5-18-9-10)13-12(14)6-11(17-2)7-15-13/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyXVUVUBAWBZWPBF-SNVBAGLBSA-N
MW315.21 g/mol
LogP2.72
Rot. Bonds4

About 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine

3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine (PubChem CID 164629876) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
PubChem CID164629876
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
SMILESCOc1cnc(N(C)C[C@H]2CCCOC2)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-16(8-10-4-3-5-18-9-10)13-12(14)6-11(17-2)7-15-13/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyXVUVUBAWBZWPBF-SNVBAGLBSA-N
XLogP2.72
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine (CID 164629876) is 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine is COc1cnc(N(C)C[C@H]2CCCOC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
The InChIKey is XVUVUBAWBZWPBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-16(8-10-4-3-5-18-9-10)13-12(14)6-11(17-2)7-15-13/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine has a molecular weight of 315.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 164629876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).