N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

C12H19BrN2O — CID 62291381

IUPACN-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCOc1ncc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C12H19BrN2O/c1-5-16-11-9(6-10(13)8-14-11)7-15-12(2,3)4/h6,8,15H,5,7H2,1-4H3
InChIKeyIOVUOKDQLIQJMF-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.13
Rot. Bonds4

About N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 62291381) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID62291381
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC NameN-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCOc1ncc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C12H19BrN2O/c1-5-16-11-9(6-10(13)8-14-11)7-15-12(2,3)4/h6,8,15H,5,7H2,1-4H3
InChIKeyIOVUOKDQLIQJMF-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-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 N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (CID 62291381) is N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is CCOc1ncc(Br)cc1CNC(C)(C)C.
What is the InChIKey of N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is IOVUOKDQLIQJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-5-16-11-9(6-10(13)8-14-11)7-15-12(2,3)4/h6,8,15H,5,7H2,1-4H3.
What are the key properties of N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 287.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62291381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).