5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine

C10H14Br2N2O — CID 80674574

IUPAC5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCC(Br)CN(C)c1ccc(Br)cn1
InChIInChI=1S/C10H14Br2N2O/c1-14(6-9(12)7-15-2)10-4-3-8(11)5-13-10/h3-5,9H,6-7H2,1-2H3
InChIKeyVUKGSJWFSQNAIT-UHFFFAOYSA-N
MW338.04 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine

5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 80674574) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID80674574
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC Name5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCC(Br)CN(C)c1ccc(Br)cn1
InChIInChI=1S/C10H14Br2N2O/c1-14(6-9(12)7-15-2)10-4-3-8(11)5-13-10/h3-5,9H,6-7H2,1-2H3
InChIKeyVUKGSJWFSQNAIT-UHFFFAOYSA-N
XLogP2.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 52.69
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

5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61373581
N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
CID 106505054
5-bromo-N-(1-methoxyethyl)-N-methylpyridin-2-amine
CID 174422412
N-(2-bromo-3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
CID 80674354
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 115146878
N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine
CID 80674688
5-bromo-N-[2-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 115146882
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
5-bromo-2-(3-bromopentyl)pyridine
CID 104810136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine (CID 80674574) is 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine is COCC(Br)CN(C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is VUKGSJWFSQNAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O/c1-14(6-9(12)7-15-2)10-4-3-8(11)5-13-10/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine?
5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 338.04 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 80674574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).