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

C16H24BrFN2 — CID 79739109

IUPAC1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1cc(Br)ccc1F)N1CCCC1
InChIInChI=1S/C16H24BrFN2/c1-4-16(2,20-9-5-6-10-20)15(19-3)13-11-12(17)7-8-14(13)18/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyXBGKFJSCKPBQCS-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.11
Rot. Bonds5

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

1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79739109) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79739109
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1cc(Br)ccc1F)N1CCCC1
InChIInChI=1S/C16H24BrFN2/c1-4-16(2,20-9-5-6-10-20)15(19-3)13-11-12(17)7-8-14(13)18/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyXBGKFJSCKPBQCS-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241371
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105242208
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79743384
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
4-(5-bromo-2-fluorophenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953568
[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241349
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79739109) is 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(NC)c1cc(Br)ccc1F)N1CCCC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is XBGKFJSCKPBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-4-16(2,20-9-5-6-10-20)15(19-3)13-11-12(17)7-8-14(13)18/h7-8,11,15,19H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 343.28 g/mol, XLogP of 4.11, 5 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-ylbutan-1-amine is sourced from PubChem (CID 79739109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).