[3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol

C15H21F3N2O — CID 102782774

IUPAC[3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCNCc1ccc(N2CCC(C)C2CO)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-10-5-6-20(14(10)9-21)12-4-3-11(8-19-2)13(7-12)15(16,17)18/h3-4,7,10,14,19,21H,5-6,8-9H2,1-2H3
InChIKeyCSKGRMXGQRZIEP-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.63
Rot. Bonds4

About [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol (PubChem CID 102782774) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
PubChem CID102782774
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCNCc1ccc(N2CCC(C)C2CO)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-10-5-6-20(14(10)9-21)12-4-3-11(8-19-2)13(7-12)15(16,17)18/h3-4,7,10,14,19,21H,5-6,8-9H2,1-2H3
InChIKeyCSKGRMXGQRZIEP-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarbothioamide
CID 102781119
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 102781481
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
2-[2-amino-5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]acetonitrile
CID 102777273
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)benzaldehyde
CID 102781909
(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782294
6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 162602765
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzonitrile
CID 102817599
4-(methylaminomethyl)-3-(trifluoromethyl)benzoic acid
CID 117219352

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol (CID 102782774) is [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol is CNCc1ccc(N2CCC(C)C2CO)cc1C(F)(F)F.
What is the InChIKey of [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is CSKGRMXGQRZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10-5-6-20(14(10)9-21)12-4-3-11(8-19-2)13(7-12)15(16,17)18/h3-4,7,10,14,19,21H,5-6,8-9H2,1-2H3.
What are the key properties of [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 302.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102782774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).