2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine

C16H19BrN2O — CID 115962668

IUPAC2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OCCc1cccnc1
InChIInChI=1S/C16H19BrN2O/c1-12-9-15(17)10-14(4-6-18)16(12)20-8-5-13-3-2-7-19-11-13/h2-3,7,9-11H,4-6,8,18H2,1H3
InChIKeyKJIKHQQOECJZQW-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.28
Rot. Bonds6

About 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine

2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine (PubChem CID 115962668) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
PubChem CID115962668
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OCCc1cccnc1
InChIInChI=1S/C16H19BrN2O/c1-12-9-15(17)10-14(4-6-18)16(12)20-8-5-13-3-2-7-19-11-13/h2-3,7,9-11H,4-6,8,18H2,1H3
InChIKeyKJIKHQQOECJZQW-UHFFFAOYSA-N
XLogP3.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
N-[[5-bromo-3-methyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 115961186
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
1-[5-bromo-3-methyl-2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 115962767
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
5-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]pentanenitrile
CID 112621576
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
CID 115958169
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
CID 55167870

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine (CID 115962668) is 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine is Cc1cc(Br)cc(CCN)c1OCCc1cccnc1.
What is the InChIKey of 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The InChIKey is KJIKHQQOECJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12-9-15(17)10-14(4-6-18)16(12)20-8-5-13-3-2-7-19-11-13/h2-3,7,9-11H,4-6,8,18H2,1H3.
What are the key properties of 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 115962668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).