2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine

C16H16BrClFN — CID 63418487

IUPAC2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(9-11-4-3-5-13(17)8-11)12-6-7-15(19)14(18)10-12/h3-8,10,16,20H,2,9H2,1H3
InChIKeyVBJKXQPCBCBDSI-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.13
Rot. Bonds5

About 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine

2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine (PubChem CID 63418487) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
PubChem CID63418487
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(9-11-4-3-5-13(17)8-11)12-6-7-15(19)14(18)10-12/h3-8,10,16,20H,2,9H2,1H3
InChIKeyVBJKXQPCBCBDSI-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine (CID 63418487) is 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Br)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
The InChIKey is VBJKXQPCBCBDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-2-20-16(9-11-4-3-5-13(17)8-11)12-6-7-15(19)14(18)10-12/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63418487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).