1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine

C16H15BrCl2FN — CID 107312331

IUPAC1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(12-9-11(20)6-7-13(12)17)8-10-4-3-5-14(18)16(10)19/h3-7,9,15,21H,2,8H2,1H3
InChIKeyHKLODKLPRMWDHS-UHFFFAOYSA-N
MW391.11 g/mol
LogP5.79
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine

1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine (PubChem CID 107312331) has the molecular formula C16H15BrCl2FN and a molecular weight of 391.11 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
PubChem CID107312331
Molecular FormulaC16H15BrCl2FN
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(12-9-11(20)6-7-13(12)17)8-10-4-3-5-14(18)16(10)19/h3-7,9,15,21H,2,8H2,1H3
InChIKeyHKLODKLPRMWDHS-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309221
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 105037839
N-[1-(2-bromo-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63529110
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine (CID 107312331) is 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1Cl)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The InChIKey is HKLODKLPRMWDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2FN/c1-2-21-15(12-9-11(20)6-7-13(12)17)8-10-4-3-5-14(18)16(10)19/h3-7,9,15,21H,2,8H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine has a molecular weight of 391.11 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107312331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).