3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine

C10H15BrN2O — CID 114293547

IUPAC3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1cccc(CNCCCBr)n1
InChIInChI=1S/C10H15BrN2O/c1-14-10-5-2-4-9(13-10)8-12-7-3-6-11/h2,4-5,12H,3,6-8H2,1H3
InChIKeySXIBEHRIVFNAKB-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.96
Rot. Bonds6

About 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine

3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (PubChem CID 114293547) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
PubChem CID114293547
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1cccc(CNCCCBr)n1
InChIInChI=1S/C10H15BrN2O/c1-14-10-5-2-4-9(13-10)8-12-7-3-6-11/h2,4-5,12H,3,6-8H2,1H3
InChIKeySXIBEHRIVFNAKB-UHFFFAOYSA-N
XLogP1.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103347430
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 103527080
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
N-[(6-methoxy-2-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688976
N-[(1-ethylcyclopropyl)methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 103527465
N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 63985265

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (CID 114293547) is 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is COc1cccc(CNCCCBr)n1.
What is the InChIKey of 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is SXIBEHRIVFNAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-14-10-5-2-4-9(13-10)8-12-7-3-6-11/h2,4-5,12H,3,6-8H2,1H3.
What are the key properties of 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 259.15 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114293547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).