1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine

C12H15F3N2 — CID 81465856

IUPAC1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine
SMILESCC1CC(Nc2cc(F)cc(F)c2F)CN1C
InChIInChI=1S/C12H15F3N2/c1-7-3-9(6-17(7)2)16-11-5-8(13)4-10(14)12(11)15/h4-5,7,9,16H,3,6H2,1-2H3
InChIKeyGXJDQKPEIDKWCQ-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.61
Rot. Bonds2

About 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine

1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine (PubChem CID 81465856) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine
PubChem CID81465856
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine
SMILESCC1CC(Nc2cc(F)cc(F)c2F)CN1C
InChIInChI=1S/C12H15F3N2/c1-7-3-9(6-17(7)2)16-11-5-8(13)4-10(14)12(11)15/h4-5,7,9,16H,3,6H2,1-2H3
InChIKeyGXJDQKPEIDKWCQ-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 102852892
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline
CID 64750651
N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466120
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82014852
methyl 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-fluorobenzoate
CID 81466913
N-(4-fluoro-2-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465828
2,3,5-trifluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63478916
N-(3,3-dimethylcyclopentyl)-2,3,5-trifluoroaniline
CID 80705583
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81466228
N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81300560

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine (CID 81465856) is 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine is CC1CC(Nc2cc(F)cc(F)c2F)CN1C.
What is the InChIKey of 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine?
The InChIKey is GXJDQKPEIDKWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-7-3-9(6-17(7)2)16-11-5-8(13)4-10(14)12(11)15/h4-5,7,9,16H,3,6H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine?
1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 81465856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).