1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

C15H19F3N2O — CID 115871514

IUPAC1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(OC(F)(F)F)c2)CN1C1CC1
InChIInChI=1S/C15H19F3N2O/c1-10-7-12(9-20(10)13-5-6-13)19-11-3-2-4-14(8-11)21-15(16,17)18/h2-4,8,10,12-13,19H,5-7,9H2,1H3
InChIKeyVLGKHHRIAVQOKA-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine (PubChem CID 115871514) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
PubChem CID115871514
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(OC(F)(F)F)c2)CN1C1CC1
InChIInChI=1S/C15H19F3N2O/c1-10-7-12(9-20(10)13-5-6-13)19-11-3-2-4-14(8-11)21-15(16,17)18/h2-4,8,10,12-13,19H,5-7,9H2,1H3
InChIKeyVLGKHHRIAVQOKA-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
CID 97330985
3-(trifluoromethoxy)-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43108619
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
CID 113491642
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
CID 112633237
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-6-ethoxypyridin-3-amine
CID 115871639
4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 71846830

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine (CID 115871514) is 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine is CC1CC(Nc2cccc(OC(F)(F)F)c2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The InChIKey is VLGKHHRIAVQOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-7-12(9-20(10)13-5-6-13)19-11-3-2-4-14(8-11)21-15(16,17)18/h2-4,8,10,12-13,19H,5-7,9H2,1H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine has a molecular weight of 300.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 115871514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).