2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine

C12H19BrN2O — CID 112651407

IUPAC2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCOCC(Br)CN(C)Cc1ncccc1C
InChIInChI=1S/C12H19BrN2O/c1-10-5-4-6-14-12(10)8-15(2)7-11(13)9-16-3/h4-6,11H,7-9H2,1-3H3
InChIKeyXPXOGZBGTKDHLR-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.23
Rot. Bonds6

About 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine

2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 112651407) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID112651407
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCOCC(Br)CN(C)Cc1ncccc1C
InChIInChI=1S/C12H19BrN2O/c1-10-5-4-6-14-12(10)8-15(2)7-11(13)9-16-3/h4-6,11H,7-9H2,1-3H3
InChIKeyXPXOGZBGTKDHLR-UHFFFAOYSA-N
XLogP2.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 106915863
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2-bromo-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 80691818
2-bromo-N-[(2-bromophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690713
N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine
CID 80674688
2-bromo-3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 80690277
2-(2-bromo-5-methylhexyl)-3-methylpyridine
CID 66455289
3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
CID 112651436
2-bromo-3-methoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644425
1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45229167
2-[[methyl(2-methylpropyl)amino]methyl]pyridin-3-ol
CID 135308026
2-bromo-3-methoxy-N-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 107054124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine (CID 112651407) is 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine is COCC(Br)CN(C)Cc1ncccc1C.
What is the InChIKey of 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is XPXOGZBGTKDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-10-5-4-6-14-12(10)8-15(2)7-11(13)9-16-3/h4-6,11H,7-9H2,1-3H3.
What are the key properties of 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 287.20 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 112651407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).