4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine

C15H23BrFN — CID 81019454

IUPAC4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(CCNC(C)(C)C)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFN/c1-11(7-8-18-15(2,3)4)9-12-5-6-13(16)10-14(12)17/h5-6,10-11,18H,7-9H2,1-4H3
InChIKeyWBWWULHICPTACB-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds5

About 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine

4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine (PubChem CID 81019454) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
PubChem CID81019454
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(CCNC(C)(C)C)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFN/c1-11(7-8-18-15(2,3)4)9-12-5-6-13(16)10-14(12)17/h5-6,10-11,18H,7-9H2,1-4H3
InChIKeyWBWWULHICPTACB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-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

4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
2-[(4-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 83149989
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015367
4-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 114862631
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212
3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 62914728
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535624
4-bromo-1-(3-bromo-4,4-dimethylpentyl)-2-fluorobenzene
CID 63471034

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine (CID 81019454) is 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine is CC(CCNC(C)(C)C)Cc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine?
The InChIKey is WBWWULHICPTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-11(7-8-18-15(2,3)4)9-12-5-6-13(16)10-14(12)17/h5-6,10-11,18H,7-9H2,1-4H3.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine?
4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 81019454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).