1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

C16H16BrCl2N — CID 63413050

IUPAC1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H16BrCl2N/c1-2-20-16(11-5-3-6-12(17)9-11)10-13-14(18)7-4-8-15(13)19/h3-9,16,20H,2,10H2,1H3
InChIKeyWMXBSRJGUYDCTE-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.65
Rot. Bonds5

About 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 63413050) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID63413050
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H16BrCl2N/c1-2-20-16(11-5-3-6-12(17)9-11)10-13-14(18)7-4-8-15(13)19/h3-9,16,20H,2,10H2,1H3
InChIKeyWMXBSRJGUYDCTE-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-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63942062
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 63413050) is 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is WMXBSRJGUYDCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-2-20-16(11-5-3-6-12(17)9-11)10-13-14(18)7-4-8-15(13)19/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
1-(3-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-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63413050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).