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

C14H20BrFN2 — CID 115145992

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(Cc1cc(Br)ccc1F)C1CNC(C)(C)C1
InChIInChI=1S/C14H20BrFN2/c1-14(2)7-12(8-17-14)18(3)9-10-6-11(15)4-5-13(10)16/h4-6,12,17H,7-9H2,1-3H3
InChIKeyZSEVGQHHTCUOIV-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.16
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 115145992) 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,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID115145992
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(Cc1cc(Br)ccc1F)C1CNC(C)(C)C1
InChIInChI=1S/C14H20BrFN2/c1-14(2)7-12(8-17-14)18(3)9-10-6-11(15)4-5-13(10)16/h4-6,12,17H,7-9H2,1-3H3
InChIKeyZSEVGQHHTCUOIV-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146101
4-[(5-bromo-2-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119859
N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146092
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146089
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
4-bromo-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]-1-fluorobenzene
CID 65174562
9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64875664
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563405
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 82014462

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine (CID 115145992) is N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine is CN(Cc1cc(Br)ccc1F)C1CNC(C)(C)C1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is ZSEVGQHHTCUOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-14(2)7-12(8-17-14)18(3)9-10-6-11(15)4-5-13(10)16/h4-6,12,17H,7-9H2,1-3H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 315.23 g/mol, XLogP of 3.16, 3 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,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115145992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).