N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine

C14H20BrFN2 — CID 63300946

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc(Br)ccc1F)C1CCNC1
InChIInChI=1S/C14H20BrFN2/c1-2-7-18(13-5-6-17-9-13)10-11-8-12(15)3-4-14(11)16/h3-4,8,13,17H,2,5-7,9-10H2,1H3
InChIKeyCMWURTUGMBFRBR-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.16
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300946) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63300946
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc(Br)ccc1F)C1CCNC1
InChIInChI=1S/C14H20BrFN2/c1-2-7-18(13-5-6-17-9-13)10-11-8-12(15)3-4-14(11)16/h3-4,8,13,17H,2,5-7,9-10H2,1H3
InChIKeyCMWURTUGMBFRBR-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976636
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976635
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine (CID 63300946) is N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1cc(Br)ccc1F)C1CCNC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is CMWURTUGMBFRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-7-18(13-5-6-17-9-13)10-11-8-12(15)3-4-14(11)16/h3-4,8,13,17H,2,5-7,9-10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 315.23 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).