1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C17H26BrFN2 — CID 79051250

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1F)C(C)(C)N1CCCC1
InChIInChI=1S/C17H26BrFN2/c1-4-20-16(17(2,3)21-9-5-6-10-21)12-13-11-14(18)7-8-15(13)19/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3
InChIKeyNMFQMWVMQKIDTK-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.98
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79051250) has the molecular formula C17H26BrFN2 and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79051250
Molecular FormulaC17H26BrFN2
Molecular Weight357.31 g/mol
Exact Mass356.13
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1F)C(C)(C)N1CCCC1
InChIInChI=1S/C17H26BrFN2/c1-4-20-16(17(2,3)21-9-5-6-10-21)12-13-11-14(18)7-8-15(13)19/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3
InChIKeyNMFQMWVMQKIDTK-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051277
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051761
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
N-ethyl-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79051289
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995
1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051283
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
3-(azepan-1-yl)-1-(2-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 79051510
1-(3-bromo-4-fluorophenyl)-N,3-dimethyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055889
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79051250) is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is CCNC(Cc1cc(Br)ccc1F)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is NMFQMWVMQKIDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrFN2/c1-4-20-16(17(2,3)21-9-5-6-10-21)12-13-11-14(18)7-8-15(13)19/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 357.31 g/mol, XLogP of 3.98, 6 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-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79051250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).