1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

C15H22BrFN2 — CID 79739404

IUPAC1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1F)C(C)(C)N1CCCC1
InChIInChI=1S/C15H22BrFN2/c1-15(2,19-8-4-5-9-19)14(18-3)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeyDLQBRRXFKWDONU-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79739404) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79739404
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1F)C(C)(C)N1CCCC1
InChIInChI=1S/C15H22BrFN2/c1-15(2,19-8-4-5-9-19)14(18-3)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeyDLQBRRXFKWDONU-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 79056816
[1-(5-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241371
[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105242208
1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79743384
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292
4-(5-bromo-2-fluorophenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953568
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
CID 79052644
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051250

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (CID 79739404) is 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is CNC(c1cc(Br)ccc1F)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DLQBRRXFKWDONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-15(2,19-8-4-5-9-19)14(18-3)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 329.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79739404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).