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

C16H16BrClFN — CID 64714713

IUPAC2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cccc(Cl)c1F
InChIInChI=1S/C16H16BrClFN/c1-2-20-15(10-11-6-3-4-8-13(11)17)12-7-5-9-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3
InChIKeyPGBHYZMCULUFFX-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.13
Rot. Bonds5

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

2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine (PubChem CID 64714713) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
PubChem CID64714713
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cccc(Cl)c1F
InChIInChI=1S/C16H16BrClFN/c1-2-20-15(10-11-6-3-4-8-13(11)17)12-7-5-9-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3
InChIKeyPGBHYZMCULUFFX-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

1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
1-(2-bromo-4-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309221
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83176044

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine (CID 64714713) is 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Br)c1cccc(Cl)c1F.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
The InChIKey is PGBHYZMCULUFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-2-20-15(10-11-6-3-4-8-13(11)17)12-7-5-9-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
2-(2-bromophenyl)-1-(3-chloro-2-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-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 64714713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).