2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

C17H18BrF2N — CID 106266939

IUPAC2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1c(F)ccc(Br)c1F)c1ccccc1C
InChIInChI=1S/C17H18BrF2N/c1-3-21-16(12-7-5-4-6-11(12)2)10-13-15(19)9-8-14(18)17(13)20/h4-9,16,21H,3,10H2,1-2H3
InChIKeyWGBCWHOKNWGRHE-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.93
Rot. Bonds5

About 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 106266939) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID106266939
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1c(F)ccc(Br)c1F)c1ccccc1C
InChIInChI=1S/C17H18BrF2N/c1-3-21-16(12-7-5-4-6-11(12)2)10-13-15(19)9-8-14(18)17(13)20/h4-9,16,21H,3,10H2,1-2H3
InChIKeyWGBCWHOKNWGRHE-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine
CID 106274346
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
2-(3-bromo-2,6-difluorophenyl)-1-(2-iodo-3-methylphenyl)-N-methylethanamine
CID 106274245
2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 106273943
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 106274368
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
N-ethyl-1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417518
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (CID 106266939) is 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(Cc1c(F)ccc(Br)c1F)c1ccccc1C.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is WGBCWHOKNWGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-3-21-16(12-7-5-4-6-11(12)2)10-13-15(19)9-8-14(18)17(13)20/h4-9,16,21H,3,10H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 354.24 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106266939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).