N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine

C15H22BrFN2 — CID 55205536

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H22BrFN2/c1-3-8-19(13-6-7-18-10-13)11(2)12-4-5-15(17)14(16)9-12/h4-5,9,11,13,18H,3,6-8,10H2,1-2H3
InChIKeyKCTPMGWUSYDGQS-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds5

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine

N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 55205536) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID55205536
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H22BrFN2/c1-3-8-19(13-6-7-18-10-13)11(2)12-4-5-15(17)14(16)9-12/h4-5,9,11,13,18H,3,6-8,10H2,1-2H3
InChIKeyKCTPMGWUSYDGQS-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine
CID 66183997
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172117
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636723
N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine (CID 55205536) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine is CCCN(C1CCNC1)C(C)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is KCTPMGWUSYDGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-3-8-19(13-6-7-18-10-13)11(2)12-4-5-15(17)14(16)9-12/h4-5,9,11,13,18H,3,6-8,10H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 329.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 55205536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).