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

C17H19BrFN — CID 63527393

IUPAC1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C17H19BrFN/c1-3-20-17(11-13-4-7-15(19)8-5-13)16-9-6-14(18)10-12(16)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeyNWXOKUPFFGQBJE-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.79
Rot. Bonds5

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

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine (PubChem CID 63527393) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
PubChem CID63527393
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C17H19BrFN/c1-3-20-17(11-13-4-7-15(19)8-5-13)16-9-6-14(18)10-12(16)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeyNWXOKUPFFGQBJE-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

1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65296774
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine (CID 63527393) is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine is CCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is NWXOKUPFFGQBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-20-17(11-13-4-7-15(19)8-5-13)16-9-6-14(18)10-12(16)2/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)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-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 63527393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).