1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C19H20ClF3N2 — CID 67218389

IUPAC1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCC2CNCC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClF3N2/c20-17-3-1-2-14(8-17)18-12-25-11-15(18)10-24-9-13-4-6-16(7-5-13)19(21,22)23/h1-8,15,18,24-25H,9-12H2
InChIKeyDQFCCSCSTTZIJZ-UHFFFAOYSA-N
MW368.83 g/mol
LogP4.45
Rot. Bonds5

About 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 67218389) has the molecular formula C19H20ClF3N2 and a molecular weight of 368.83 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID67218389
Molecular FormulaC19H20ClF3N2
Molecular Weight368.83 g/mol
Exact Mass368.13
IUPAC Name1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCC2CNCC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClF3N2/c20-17-3-1-2-14(8-17)18-12-25-11-15(18)10-24-9-13-4-6-16(7-5-13)19(21,22)23/h1-8,15,18,24-25H,9-12H2
InChIKeyDQFCCSCSTTZIJZ-UHFFFAOYSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
CID 125452847
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962314
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine
CID 11604554
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-(3-chlorophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea
CID 3422914
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227
(3S,4R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46216121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 67218389) is 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccc(CNCC2CNCC2c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is DQFCCSCSTTZIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2/c20-17-3-1-2-14(8-17)18-12-25-11-15(18)10-24-9-13-4-6-16(7-5-13)19(21,22)23/h1-8,15,18,24-25H,9-12H2.
What are the key properties of 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 368.83 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 67218389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).