1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine

C17H21BrN2O — CID 66448295

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cc(OC)ccc1Br
InChIInChI=1S/C17H21BrN2O/c1-4-19-17(9-13-6-5-12(2)11-20-13)15-10-14(21-3)7-8-16(15)18/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyTUMQZZVLVMRGTF-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.05
Rot. Bonds6

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

1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 66448295) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID66448295
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cc(OC)ccc1Br
InChIInChI=1S/C17H21BrN2O/c1-4-19-17(9-13-6-5-12(2)11-20-13)15-10-14(21-3)7-8-16(15)18/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyTUMQZZVLVMRGTF-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81111195
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105177265
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(5-bromothiophen-3-yl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963062
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878468
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 66448295) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(C)cn1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is TUMQZZVLVMRGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-19-17(9-13-6-5-12(2)11-20-13)15-10-14(21-3)7-8-16(15)18/h5-8,10-11,17,19H,4,9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66448295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).