1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine

C17H21BrN2O — CID 102947767

IUPAC1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCCc1ccncc1
InChIInChI=1S/C17H21BrN2O/c1-3-20-13(2)16-5-4-15(18)12-17(16)21-11-8-14-6-9-19-10-7-14/h4-7,9-10,12-13,20H,3,8,11H2,1-2H3
InChIKeyXCMZDCZTBQBRQJ-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.14
Rot. Bonds7

About 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine (PubChem CID 102947767) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
PubChem CID102947767
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCCc1ccncc1
InChIInChI=1S/C17H21BrN2O/c1-3-20-13(2)16-5-4-15(18)12-17(16)21-11-8-14-6-9-19-10-7-14/h4-7,9-10,12-13,20H,3,8,11H2,1-2H3
InChIKeyXCMZDCZTBQBRQJ-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-[4-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 103000046
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine
CID 102947829
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947651
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
1-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947619
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947607
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine (CID 102947767) is 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCCc1ccncc1.
What is the InChIKey of 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine?
The InChIKey is XCMZDCZTBQBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-20-13(2)16-5-4-15(18)12-17(16)21-11-8-14-6-9-19-10-7-14/h4-7,9-10,12-13,20H,3,8,11H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102947767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).