2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine

C15H17BrN2O — CID 65325616

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2cccc(C)n2)c1
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-5-15(18-10)14(17)9-11-8-12(19-2)6-7-13(11)16/h3-8,14H,9,17H2,1-2H3
InChIKeyPHAYZTCJVUCOPF-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.40
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine

2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine (PubChem CID 65325616) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
PubChem CID65325616
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2cccc(C)n2)c1
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-5-15(18-10)14(17)9-11-8-12(19-2)6-7-13(11)16/h3-8,14H,9,17H2,1-2H3
InChIKeyPHAYZTCJVUCOPF-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 65323552
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine (CID 65325616) is 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine is COc1ccc(Br)c(CC(N)c2cccc(C)n2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
The InChIKey is PHAYZTCJVUCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-4-3-5-15(18-10)14(17)9-11-8-12(19-2)6-7-13(11)16/h3-8,14H,9,17H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 65325616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).