(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C12H15F3N2 — CID 165476719

IUPAC(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESC[C@@]1(N)CNC[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c1-11(16)7-17-6-10(11)8-3-2-4-9(5-8)12(13,14)15/h2-5,10,17H,6-7,16H2,1H3/t10-,11+/m0/s1
InChIKeyMGJHRSRVZQLENI-WDEREUQCSA-N
MW244.26 g/mol
LogP2.11
Rot. Bonds1

About (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine

(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 165476719) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID165476719
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESC[C@@]1(N)CNC[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c1-11(16)7-17-6-10(11)8-3-2-4-9(5-8)12(13,14)15/h2-5,10,17H,6-7,16H2,1H3/t10-,11+/m0/s1
InChIKeyMGJHRSRVZQLENI-WDEREUQCSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 121207524
4-(3-cyclopropylphenyl)-3-methylpyrrolidin-3-amine
CID 165468446
3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]thiomorpholine
CID 66228533
4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 114486929
2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 172692197
2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 117270769
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,4-thiazinane 1-oxide
CID 66229470
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
2,2,7,7-tetramethyl-9-[3-(trifluoromethyl)phenyl]-3,4,5,6,9,10-hexahydroacridine-1,8-dione
CID 10319812
3,3,6,6-tetramethyl-9-[3-(trifluoromethyl)phenyl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 1147848

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 165476719) is (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is C[C@@]1(N)CNC[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is MGJHRSRVZQLENI-WDEREUQCSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-11(16)7-17-6-10(11)8-3-2-4-9(5-8)12(13,14)15/h2-5,10,17H,6-7,16H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 165476719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).