1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine

C17H18BrFN2 — CID 104776249

IUPAC1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(NC2CCN(Cc3ccccc3)C2)cc1Br
InChIInChI=1S/C17H18BrFN2/c18-16-10-14(6-7-17(16)19)20-15-8-9-21(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2
InChIKeyZAKIDVMCAYWBPM-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.27
Rot. Bonds4

About 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine

1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine (PubChem CID 104776249) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
PubChem CID104776249
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(NC2CCN(Cc3ccccc3)C2)cc1Br
InChIInChI=1S/C17H18BrFN2/c18-16-10-14(6-7-17(16)19)20-15-8-9-21(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2
InChIKeyZAKIDVMCAYWBPM-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
1-benzyl-N-(3-bromo-4-nitrophenyl)piperidin-3-amine
CID 113343345
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
CID 113384475
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 84591356
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2H-isoquinolin-1-one
CID 59290709

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine (CID 104776249) is 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine is Fc1ccc(NC2CCN(Cc3ccccc3)C2)cc1Br.
What is the InChIKey of 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is ZAKIDVMCAYWBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-16-10-14(6-7-17(16)19)20-15-8-9-21(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2.
What are the key properties of 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine?
1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 349.25 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 104776249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).