2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine

C14H15BrN2O — CID 116824576

IUPAC2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine
SMILESCOc1ccc(C(CN)c2ccccn2)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-18-14-6-5-10(8-12(14)15)11(9-16)13-4-2-3-7-17-13/h2-8,11H,9,16H2,1H3
InChIKeyMDKIIBKLKIKZSP-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine

2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine (PubChem CID 116824576) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine
PubChem CID116824576
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine
SMILESCOc1ccc(C(CN)c2ccccn2)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-18-14-6-5-10(8-12(14)15)11(9-16)13-4-2-3-7-17-13/h2-8,11H,9,16H2,1H3
InChIKeyMDKIIBKLKIKZSP-UHFFFAOYSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614
3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine
CID 106950903
2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
CID 66072986
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
3-amino-1-(3-bromo-4-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135603
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine (CID 116824576) is 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine is COc1ccc(C(CN)c2ccccn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
The InChIKey is MDKIIBKLKIKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-14-6-5-10(8-12(14)15)11(9-16)13-4-2-3-7-17-13/h2-8,11H,9,16H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine has a molecular weight of 307.19 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 116824576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).