(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine

C17H23F3N2 — CID 97330985

IUPAC(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
SMILESC[C@@H]1C[C@@H](Nc2cccc(CCC(F)(F)F)c2)CN1C1CC1
InChIInChI=1S/C17H23F3N2/c1-12-9-15(11-22(12)16-5-6-16)21-14-4-2-3-13(10-14)7-8-17(18,19)20/h2-4,10,12,15-16,21H,5-9,11H2,1H3/t12-,15-/m1/s1
InChIKeyPIYIBLCEFXOEIF-IUODEOHRSA-N
MW312.38 g/mol
LogP4.22
Rot. Bonds5

About (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine

(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine (PubChem CID 97330985) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
PubChem CID97330985
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
SMILESC[C@@H]1C[C@@H](Nc2cccc(CCC(F)(F)F)c2)CN1C1CC1
InChIInChI=1S/C17H23F3N2/c1-12-9-15(11-22(12)16-5-6-16)21-14-4-2-3-13(10-14)7-8-17(18,19)20/h2-4,10,12,15-16,21H,5-9,11H2,1H3/t12-,15-/m1/s1
InChIKeyPIYIBLCEFXOEIF-IUODEOHRSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
CID 115871605
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137
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-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871509
1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
CID 113491642
1-cyclopropyl-5-methyl-N-naphthalen-1-ylpyrrolidin-3-amine
CID 115928211
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine (CID 97330985) is (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine is C[C@@H]1C[C@@H](Nc2cccc(CCC(F)(F)F)c2)CN1C1CC1.
What is the InChIKey of (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine?
The InChIKey is PIYIBLCEFXOEIF-IUODEOHRSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-12-9-15(11-22(12)16-5-6-16)21-14-4-2-3-13(10-14)7-8-17(18,19)20/h2-4,10,12,15-16,21H,5-9,11H2,1H3/t12-,15-/m1/s1.
What are the key properties of (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine?
(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine has a molecular weight of 312.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 97330985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).