2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine

C16H25BrFN — CID 55196819

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
SMILESCCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H25BrFN/c1-6-16(5,11-19-15(2,3)4)10-12-9-13(18)7-8-14(12)17/h7-9,19H,6,10-11H2,1-5H3
InChIKeyJDLQGLPLMMICJX-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.94
Rot. Bonds5

About 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine

2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine (PubChem CID 55196819) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
PubChem CID55196819
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
SMILESCCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H25BrFN/c1-6-16(5,11-19-15(2,3)4)10-12-9-13(18)7-8-14(12)17/h7-9,19H,6,10-11H2,1-5H3
InChIKeyJDLQGLPLMMICJX-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine 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

3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 62723348
2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 63509190
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
1-bromo-2-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzene
CID 66050911
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine
CID 113409211
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985
2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62725874
3-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62724558
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151219
2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 75430590
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine (CID 55196819) is 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine is CCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
The InChIKey is JDLQGLPLMMICJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-6-16(5,11-19-15(2,3)4)10-12-9-13(18)7-8-14(12)17/h7-9,19H,6,10-11H2,1-5H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine has a molecular weight of 330.29 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine is sourced from PubChem (CID 55196819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).