N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C11H12BrF3N2 — CID 114042706

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(Br)c(NC2CCNC2)c1
InChIInChI=1S/C11H12BrF3N2/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2
InChIKeyAPSDCZXJIGRXJR-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.24
Rot. Bonds2

About N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine

N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 114042706) has the molecular formula C11H12BrF3N2 and a molecular weight of 309.13 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID114042706
Molecular FormulaC11H12BrF3N2
Molecular Weight309.13 g/mol
Exact Mass308.01
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(Br)c(NC2CCNC2)c1
InChIInChI=1S/C11H12BrF3N2/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2
InChIKeyAPSDCZXJIGRXJR-UHFFFAOYSA-N
XLogP3.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine
CID 114042727
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
N-(2-bromophenyl)pyrrolidin-3-amine
CID 66545624
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323
N-(2,4-dibromophenyl)pyrrolidin-3-amine
CID 79725192
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
2-N-[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 89316423
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[(3R)-pyrrolidin-3-yl]urea
CID 74233216
N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine
CID 139346514
tert-butyl 4-[2-bromo-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 114042668

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 114042706) is N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine is FC(F)(F)c1ccc(Br)c(NC2CCNC2)c1.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is APSDCZXJIGRXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2.
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 309.13 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 114042706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).