2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine

C17H19Br2NO — CID 82805323

IUPAC2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
SMILESCCNCC(OCc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-2-20-11-17(14-4-3-5-16(19)10-14)21-12-13-6-8-15(18)9-7-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyTVUGHSBMRRHHSC-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.08
Rot. Bonds7

About 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine

2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine (PubChem CID 82805323) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
PubChem CID82805323
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
SMILESCCNCC(OCc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-2-20-11-17(14-4-3-5-16(19)10-14)21-12-13-6-8-15(18)9-7-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyTVUGHSBMRRHHSC-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 62108729
2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 55036296
2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106102
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 65124788
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine (CID 82805323) is 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine is CCNCC(OCc1ccc(Br)cc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
The InChIKey is TVUGHSBMRRHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-2-20-11-17(14-4-3-5-16(19)10-14)21-12-13-6-8-15(18)9-7-13/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine has a molecular weight of 413.15 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine is sourced from PubChem (CID 82805323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).