1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine

C17H19BrFN — CID 63528287

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFN/c1-3-20-17(10-13-6-4-12(2)5-7-13)15-11-14(18)8-9-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyHPUPMGDXEYQXRX-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.79
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine

1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine (PubChem CID 63528287) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
PubChem CID63528287
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFN/c1-3-20-17(10-13-6-4-12(2)5-7-13)15-11-14(18)8-9-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyHPUPMGDXEYQXRX-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine (CID 63528287) is 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The InChIKey is HPUPMGDXEYQXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-20-17(10-13-6-4-12(2)5-7-13)15-11-14(18)8-9-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63528287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).