N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine

C15H17BrN2O — CID 112582155

IUPACN-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(Br)n2)c1
InChIInChI=1S/C15H17BrN2O/c1-11(12-5-3-7-14(9-12)19-2)17-10-13-6-4-8-15(16)18-13/h3-9,11,17H,10H2,1-2H3
InChIKeyUIFHDAHZYMTCMY-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.70
Rot. Bonds5

About N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine

N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 112582155) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID112582155
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(Br)n2)c1
InChIInChI=1S/C15H17BrN2O/c1-11(12-5-3-7-14(9-12)19-2)17-10-13-6-4-8-15(16)18-13/h3-9,11,17H,10H2,1-2H3
InChIKeyUIFHDAHZYMTCMY-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81382454
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 115937822
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115592159
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 112582155) is N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2cccc(Br)n2)c1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is UIFHDAHZYMTCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(12-5-3-7-14(9-12)19-2)17-10-13-6-4-8-15(16)18-13/h3-9,11,17H,10H2,1-2H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 112582155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).