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

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Related Compounds

N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289903
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114035545
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[[5-bromo-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291897
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
CID 106205348
5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62283114
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504

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).