1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

C16H16BrCl2N — CID 63415000

IUPAC1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C16H16BrCl2N/c1-2-20-16(11-6-3-4-7-13(11)17)10-12-14(18)8-5-9-15(12)19/h3-9,16,20H,2,10H2,1H3
InChIKeyBWRJFEUKFXRLEM-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.65
Rot. Bonds5

About 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 63415000) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID63415000
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C16H16BrCl2N/c1-2-20-16(11-6-3-4-7-13(11)17)10-12-14(18)8-5-9-15(12)19/h3-9,16,20H,2,10H2,1H3
InChIKeyBWRJFEUKFXRLEM-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 63414322
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115830311
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63942062
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63413050
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 63415000) is 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is BWRJFEUKFXRLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-2-20-16(11-6-3-4-7-13(11)17)10-12-14(18)8-5-9-15(12)19/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine has a molecular weight of 373.12 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63415000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).