1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine

C17H19Br2NO — CID 63509459

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-3-20-16(10-12-5-4-6-14(18)9-12)13-7-8-17(21-2)15(19)11-13/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyAJGGSHWBIOOHSB-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.11
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine

1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine (PubChem CID 63509459) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
PubChem CID63509459
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-3-20-16(10-12-5-4-6-14(18)9-12)13-7-8-17(21-2)15(19)11-13/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyAJGGSHWBIOOHSB-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

2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
[2-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192188
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
1-(3-chloro-4-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 62388356
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine (CID 63509459) is 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Br)c1)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine?
The InChIKey is AJGGSHWBIOOHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-3-20-16(10-12-5-4-6-14(18)9-12)13-7-8-17(21-2)15(19)11-13/h4-9,11,16,20H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine 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-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine is sourced from PubChem (CID 63509459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).