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

C17H19BrClNO — CID 82806329

IUPAC2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNCC(OCc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClNO/c1-2-20-11-17(14-5-9-16(19)10-6-14)21-12-13-3-7-15(18)8-4-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyDERCJHOEUVRAFN-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.97
Rot. Bonds7

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

2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine (PubChem CID 82806329) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
PubChem CID82806329
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNCC(OCc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClNO/c1-2-20-11-17(14-5-9-16(19)10-6-14)21-12-13-3-7-15(18)8-4-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyDERCJHOEUVRAFN-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.97
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)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
CID 65124744
1-bromo-4-[1-[(4-chlorophenyl)methoxy]-2-iodoethyl]benzene
CID 114774460
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene
CID 71492889
2-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)ethanamine
CID 65124981
N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine
CID 55036697
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 65124788
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine (CID 82806329) is 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine is CCNCC(OCc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine?
The InChIKey is DERCJHOEUVRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-2-20-11-17(14-5-9-16(19)10-6-14)21-12-13-3-7-15(18)8-4-13/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine?
2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine has a molecular weight of 368.70 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 82806329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).