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

C19H20ClF3N2 — CID 59312425

IUPAC(3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CNC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H20ClF3N2/c1-25(12-13-5-7-15(8-6-13)19(21,22)23)18-11-24-10-17(18)14-3-2-4-16(20)9-14/h2-9,17-18,24H,10-12H2,1H3/t17-,18+/m1/s1
InChIKeyGFEUTEHAKXHYHQ-MSOLQXFVSA-N
MW368.83 g/mol
LogP4.55
Rot. Bonds4

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

(3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 59312425) has the molecular formula C19H20ClF3N2 and a molecular weight of 368.83 g/mol. Its IUPAC name is (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID59312425
Molecular FormulaC19H20ClF3N2
Molecular Weight368.83 g/mol
Exact Mass368.13
IUPAC Name(3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CNC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H20ClF3N2/c1-25(12-13-5-7-15(8-6-13)19(21,22)23)18-11-24-10-17(18)14-3-2-4-16(20)9-14/h2-9,17-18,24H,10-12H2,1H3/t17-,18+/m1/s1
InChIKeyGFEUTEHAKXHYHQ-MSOLQXFVSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 59312425) is (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is CN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CNC[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is GFEUTEHAKXHYHQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H20ClF3N2/c1-25(12-13-5-7-15(8-6-13)19(21,22)23)18-11-24-10-17(18)14-3-2-4-16(20)9-14/h2-9,17-18,24H,10-12H2,1H3/t17-,18+/m1/s1.
What are the key properties of (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
(3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 368.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 59312425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).