1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine

C14H20BrFN2 — CID 120852117

IUPAC1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCCC1c1cc(F)cc(Br)c1
InChIInChI=1S/C14H20BrFN2/c1-14(2,17)9-18-5-3-4-13(18)10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,17H2,1-2H3
InChIKeyWIVKJYGYQWNKKK-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.46
Rot. Bonds3

About 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine

1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine (PubChem CID 120852117) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
PubChem CID120852117
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCCC1c1cc(F)cc(Br)c1
InChIInChI=1S/C14H20BrFN2/c1-14(2,17)9-18-5-3-4-13(18)10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,17H2,1-2H3
InChIKeyWIVKJYGYQWNKKK-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine (CID 120852117) is 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine is CC(C)(N)CN1CCCC1c1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The InChIKey is WIVKJYGYQWNKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-14(2,17)9-18-5-3-4-13(18)10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,17H2,1-2H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine has a molecular weight of 315.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 120852117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).