[4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine

C15H17BrN2O — CID 174758095

IUPAC[4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
SMILESCOc1cc(-c2cc(CCBr)ccc2CN)ccn1
InChIInChI=1S/C15H17BrN2O/c1-19-15-9-12(5-7-18-15)14-8-11(4-6-16)2-3-13(14)10-17/h2-3,5,7-9H,4,6,10,17H2,1H3
InChIKeyPGEYBXIENKAARG-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.15
Rot. Bonds5

About [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine

[4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine (PubChem CID 174758095) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
PubChem CID174758095
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name[4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
SMILESCOc1cc(-c2cc(CCBr)ccc2CN)ccn1
InChIInChI=1S/C15H17BrN2O/c1-19-15-9-12(5-7-18-15)14-8-11(4-6-16)2-3-13(14)10-17/h2-3,5,7-9H,4,6,10,17H2,1H3
InChIKeyPGEYBXIENKAARG-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
CID 114078578
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417
2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline
CID 153356943
2-(2-methoxy-4-pyridinyl)-6-methylaniline
CID 165370001
1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
CID 105446410
(2-methoxy-4-pyridinyl)methylazanium
CID 25323729
2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 130977878
[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine
CID 104516233
ethane;2-methoxy-4-(methoxymethyl)pyridine
CID 156724194
2-methoxy-4-(2-pyridin-2-ylethyl)pyridine
CID 59293409
4-(2-fluoro-3-methylphenyl)-2-methoxypyridine
CID 178155180
N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine
CID 10376842

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
The IUPAC name of [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine (CID 174758095) is [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
The canonical SMILES for [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine is COc1cc(-c2cc(CCBr)ccc2CN)ccn1.
What is the InChIKey of [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
The InChIKey is PGEYBXIENKAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-19-15-9-12(5-7-18-15)14-8-11(4-6-16)2-3-13(14)10-17/h2-3,5,7-9H,4,6,10,17H2,1H3.
What are the key properties of [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
[4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine has a molecular weight of 321.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethyl)-2-(2-methoxy-4-pyridinyl)phenyl]methanamine is sourced from PubChem (CID 174758095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).