3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine

C15H23BrFN — CID 62723348

IUPAC3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-14(2,3)18-10-15(4,5)9-11-8-12(17)6-7-13(11)16/h6-8,18H,9-10H2,1-5H3
InChIKeyXQEHCRSQCHZYLF-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds4

About 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine

3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine (PubChem CID 62723348) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
PubChem CID62723348
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-14(2,3)18-10-15(4,5)9-11-8-12(17)6-7-13(11)16/h6-8,18H,9-10H2,1-5H3
InChIKeyXQEHCRSQCHZYLF-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 55196819
3-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62724558
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
3-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 106271326
N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine
CID 113409211
2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 63509190
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151219
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
1-bromo-2-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzene
CID 66050911
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 83160097
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
3-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 115866772

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine (CID 62723348) is 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine is CC(C)(CNC(C)(C)C)Cc1cc(F)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The InChIKey is XQEHCRSQCHZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-14(2,3)18-10-15(4,5)9-11-8-12(17)6-7-13(11)16/h6-8,18H,9-10H2,1-5H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62723348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).