2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol

C8H17F3N2O2 — CID 103366190

IUPAC2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol
SMILESNCC(CN(CCO)CCO)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2/c9-8(10,11)7(5-12)6-13(1-3-14)2-4-15/h7,14-15H,1-6,12H2
InChIKeyVUXFACVSVDHCIS-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.59
Rot. Bonds7

About 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 103366190) has the molecular formula C8H17F3N2O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID103366190
Molecular FormulaC8H17F3N2O2
Molecular Weight230.23 g/mol
Exact Mass230.12
IUPAC Name2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol
SMILESNCC(CN(CCO)CCO)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2/c9-8(10,11)7(5-12)6-13(1-3-14)2-4-15/h7,14-15H,1-6,12H2
InChIKeyVUXFACVSVDHCIS-UHFFFAOYSA-N
XLogP-0.59
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol 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

N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366119
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 61242806
2-(trifluoromethyl)butan-1-amine
CID 10351789
1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 63899795
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
CID 60960619
N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366167
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
2-[aminomethyl(2-hydroxyethyl)amino]ethanol
CID 18542021
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118
4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
CID 82534528
2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
CID 107485527
N'-cyclopentyl-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366115

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol (CID 103366190) is 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol is NCC(CN(CCO)CCO)C(F)(F)F.
What is the InChIKey of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VUXFACVSVDHCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2/c9-8(10,11)7(5-12)6-13(1-3-14)2-4-15/h7,14-15H,1-6,12H2.
What are the key properties of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 230.23 g/mol, XLogP of -0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 103366190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).