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

C16H25BrFN — CID 63520977

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H25BrFN/c1-11(2)13(10-19-16(3,4)5)8-12-6-7-14(18)9-15(12)17/h6-7,9,11,13,19H,8,10H2,1-5H3
InChIKeyKBUIVIHUCQFNSR-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.79
Rot. Bonds5

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

2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine (PubChem CID 63520977) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
PubChem CID63520977
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H25BrFN/c1-11(2)13(10-19-16(3,4)5)8-12-6-7-14(18)9-15(12)17/h6-7,9,11,13,19H,8,10H2,1-5H3
InChIKeyKBUIVIHUCQFNSR-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-tert-butyl-2-[(2-chloro-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 106869454
N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 64664802
N-[3-(2-bromo-4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 62528631
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015745
N-tert-butyl-2-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83138456
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine (CID 63520977) is 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine?
The InChIKey is KBUIVIHUCQFNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-11(2)13(10-19-16(3,4)5)8-12-6-7-14(18)9-15(12)17/h6-7,9,11,13,19H,8,10H2,1-5H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine?
2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine has a molecular weight of 330.29 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 2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 63520977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).