1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

C17H19Br2NO — CID 107980644

IUPAC1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-3-20-17(13-9-14(18)11-15(19)10-13)8-12-4-6-16(21-2)7-5-12/h4-7,9-11,17,20H,3,8H2,1-2H3
InChIKeyQOBJNSUHEJXUET-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.11
Rot. Bonds6

About 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 107980644) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
PubChem CID107980644
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-3-20-17(13-9-14(18)11-15(19)10-13)8-12-4-6-16(21-2)7-5-12/h4-7,9-11,17,20H,3,8H2,1-2H3
InChIKeyQOBJNSUHEJXUET-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107988800
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 62607697
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085
1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 81156548

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (CID 107980644) is 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)cc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is QOBJNSUHEJXUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-3-20-17(13-9-14(18)11-15(19)10-13)8-12-4-6-16(21-2)7-5-12/h4-7,9-11,17,20H,3,8H2,1-2H3.
What are the key properties of 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine has a molecular weight of 413.15 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107980644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).