(2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol

C19H29F3N2O — CID 166386637

IUPAC(2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol
SMILESCC(C)N(C)C[C@H](O)CNC1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H29F3N2O/c1-13(2)24(3)12-14(25)11-23-18-10-6-8-16(18)15-7-4-5-9-17(15)19(20,21)22/h4-5,7,9,13-14,16,18,23,25H,6,8,10-12H2,1-3H3/t14-,16?,18?/m1/s1
InChIKeyOVCMUWGIIKODHY-MXWWQKGMSA-N
MW358.45 g/mol
LogP3.63
Rot. Bonds7

About (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol

(2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol (PubChem CID 166386637) has the molecular formula C19H29F3N2O and a molecular weight of 358.45 g/mol. Its IUPAC name is (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol
PubChem CID166386637
Molecular FormulaC19H29F3N2O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name(2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol
SMILESCC(C)N(C)C[C@H](O)CNC1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H29F3N2O/c1-13(2)24(3)12-14(25)11-23-18-10-6-8-16(18)15-7-4-5-9-17(15)19(20,21)22/h4-5,7,9,13-14,16,18,23,25H,6,8,10-12H2,1-3H3/t14-,16?,18?/m1/s1
InChIKeyOVCMUWGIIKODHY-MXWWQKGMSA-N
XLogP3.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol (CID 166386637) is (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol is CC(C)N(C)C[C@H](O)CNC1CCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol?
The InChIKey is OVCMUWGIIKODHY-MXWWQKGMSA-N. The full InChI is InChI=1S/C19H29F3N2O/c1-13(2)24(3)12-14(25)11-23-18-10-6-8-16(18)15-7-4-5-9-17(15)19(20,21)22/h4-5,7,9,13-14,16,18,23,25H,6,8,10-12H2,1-3H3/t14-,16?,18?/m1/s1.
What are the key properties of (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol?
(2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol has a molecular weight of 358.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl(propan-2-yl)amino]-3-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]propan-2-ol is sourced from PubChem (CID 166386637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).