3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol

C9H17F3N2O2 — CID 115315417

IUPAC3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(N)C1CN(CC(O)C(F)(F)F)CCO1
InChIInChI=1S/C9H17F3N2O2/c1-6(13)7-4-14(2-3-16-7)5-8(15)9(10,11)12/h6-8,15H,2-5,13H2,1H3
InChIKeyJQNFCDDREHQEKB-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.04
Rot. Bonds3

About 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol

3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 115315417) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID115315417
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(N)C1CN(CC(O)C(F)(F)F)CCO1
InChIInChI=1S/C9H17F3N2O2/c1-6(13)7-4-14(2-3-16-7)5-8(15)9(10,11)12/h6-8,15H,2-5,13H2,1H3
InChIKeyJQNFCDDREHQEKB-UHFFFAOYSA-N
XLogP-0.04
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-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

Related Compounds

1-(Methylamino)-3-(morpholin-4-yl)propan-2-ol
CID 4001215
1-Amino-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 16788372
4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
CID 137698858
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
(4-(1,3-Difluoropropan-2-yl)morpholin-2-yl)methanamine
CID 67126662
1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol
CID 71080624
N-[[4-(2-fluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 156334456
N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166684020
N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166926578
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol
CID 167166940
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 167249324
4-(2-hydroxyethyl)-2-(N-methylamino-methyl)morpholine
CID 79006886

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol (CID 115315417) is 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol is CC(N)C1CN(CC(O)C(F)(F)F)CCO1.
What is the InChIKey of 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is JQNFCDDREHQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(13)7-4-14(2-3-16-7)5-8(15)9(10,11)12/h6-8,15H,2-5,13H2,1H3.
What are the key properties of 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 242.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115315417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).