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

C16H19BrN2O — CID 102947675

IUPAC1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1ccncc1
InChIInChI=1S/C16H19BrN2O/c1-3-19-12(2)15-5-4-14(17)10-16(15)20-11-13-6-8-18-9-7-13/h4-10,12,19H,3,11H2,1-2H3
InChIKeyCHBXLXVUSFUQOT-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.09
Rot. Bonds6

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

1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 102947675) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
PubChem CID102947675
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1ccncc1
InChIInChI=1S/C16H19BrN2O/c1-3-19-12(2)15-5-4-14(17)10-16(15)20-11-13-6-8-18-9-7-13/h4-10,12,19H,3,11H2,1-2H3
InChIKeyCHBXLXVUSFUQOT-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947651
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947607
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
CID 102880408

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine (CID 102947675) is 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCc1ccncc1.
What is the InChIKey of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is CHBXLXVUSFUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-19-12(2)15-5-4-14(17)10-16(15)20-11-13-6-8-18-9-7-13/h4-10,12,19H,3,11H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 335.25 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102947675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).