2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine

C17H21BrN2O — CID 63840247

IUPAC2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)c1cc(C)ccn1
InChIInChI=1S/C17H21BrN2O/c1-4-19-16(15-9-12(2)7-8-20-15)11-13-5-6-17(21-3)14(18)10-13/h5-10,16,19H,4,11H2,1-3H3
InChIKeyHWCVWNOUHHRONT-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.05
Rot. Bonds6

About 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine

2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine (PubChem CID 63840247) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
PubChem CID63840247
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)c1cc(C)ccn1
InChIInChI=1S/C17H21BrN2O/c1-4-19-16(15-9-12(2)7-8-20-15)11-13-5-6-17(21-3)14(18)10-13/h5-10,16,19H,4,11H2,1-3H3
InChIKeyHWCVWNOUHHRONT-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

N-ethyl-2-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 55259074
N-ethyl-2-(4-ethylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63841394
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79709700
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 63969018
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65200344
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine (CID 63840247) is 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(OC)c(Br)c1)c1cc(C)ccn1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
The InChIKey is HWCVWNOUHHRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-19-16(15-9-12(2)7-8-20-15)11-13-5-6-17(21-3)14(18)10-13/h5-10,16,19H,4,11H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-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 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 63840247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).