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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Related Compounds

(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 124618147
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120848150
1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120855842
1-[(2R)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 124616979
2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120848647
tert-butyl 4-amino-2-(3-bromo-5-fluorophenyl)piperidine-1-carboxylate
CID 165457136
[5-(3-bromo-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117463198
2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-2-ol
CID 110932472
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895866
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120857828

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).