3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine

C17H25BrFN — CID 83159708

IUPAC3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)(C)NCC(C)(Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C17H25BrFN/c1-16(2,3)20-11-17(4,13-5-6-13)10-12-7-14(18)9-15(19)8-12/h7-9,13,20H,5-6,10-11H2,1-4H3
InChIKeyFFALOMXUMCNQFI-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.94
Rot. Bonds5

About 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine

3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine (PubChem CID 83159708) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
PubChem CID83159708
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)(C)NCC(C)(Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C17H25BrFN/c1-16(2,3)20-11-17(4,13-5-6-13)10-12-7-14(18)9-15(19)8-12/h7-9,13,20H,5-6,10-11H2,1-4H3
InChIKeyFFALOMXUMCNQFI-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150924
N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 103041178
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567109
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
1-bromo-3-fluoro-5-(2-fluoro-2-methylpropyl)benzene;propane-1,3-diol
CID 143797670
3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149125
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 105408247
2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79711953
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247
[2-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011817

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine (CID 83159708) is 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine is CC(C)(C)NCC(C)(Cc1cc(F)cc(Br)c1)C1CC1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
The InChIKey is FFALOMXUMCNQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-16(2,3)20-11-17(4,13-5-6-13)10-12-7-14(18)9-15(19)8-12/h7-9,13,20H,5-6,10-11H2,1-4H3.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine has a molecular weight of 342.30 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 3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine is sourced from PubChem (CID 83159708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).