2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine

C18H21BrFN — CID 115839730

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C18H21BrFN/c1-18(2,3)14-6-4-12(5-7-14)17(21)11-13-10-15(19)8-9-16(13)20/h4-10,17H,11,21H2,1-3H3
InChIKeyUVPTUGFIDWZZSU-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.13
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine (PubChem CID 115839730) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
PubChem CID115839730
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C18H21BrFN/c1-18(2,3)14-6-4-12(5-7-14)17(21)11-13-10-15(19)8-9-16(13)20/h4-10,17H,11,21H2,1-3H3
InChIKeyUVPTUGFIDWZZSU-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848642
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 115839341
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 43106267
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine (CID 115839730) is 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine is CC(C)(C)c1ccc(C(N)Cc2cc(Br)ccc2F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine?
The InChIKey is UVPTUGFIDWZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-18(2,3)14-6-4-12(5-7-14)17(21)11-13-10-15(19)8-9-16(13)20/h4-10,17H,11,21H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine has a molecular weight of 350.28 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine is sourced from PubChem (CID 115839730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).