1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

C16H15BrCl2FN — CID 106645460

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(10-5-3-6-12(17)16(10)20)9-11-13(18)7-4-8-14(11)19/h3-8,15,21H,2,9H2,1H3
InChIKeyNFILJOHJFAJDTJ-UHFFFAOYSA-N
MW391.11 g/mol
LogP5.79
Rot. Bonds5

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

1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 106645460) has the molecular formula C16H15BrCl2FN and a molecular weight of 391.11 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID106645460
Molecular FormulaC16H15BrCl2FN
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(10-5-3-6-12(17)16(10)20)9-11-13(18)7-4-8-14(11)19/h3-8,15,21H,2,9H2,1H3
InChIKeyNFILJOHJFAJDTJ-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-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107953609
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115830311
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 106648844
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine
CID 106648061
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 63414322
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 106645460) is 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is NFILJOHJFAJDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2FN/c1-2-21-15(10-5-3-6-12(17)16(10)20)9-11-13(18)7-4-8-14(11)19/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
1-(3-bromo-2-fluorophenyl)-2-(2,6-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-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 106645460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).