1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol

C10H21F3N2O — CID 63226974

IUPAC1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-15(4-2)8-9(16)7-14-6-5-10(11,12)13/h9,14,16H,3-8H2,1-2H3
InChIKeyAXTXXJSMGAQJHE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.23
Rot. Bonds8

About 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol

1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 63226974) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID63226974
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-15(4-2)8-9(16)7-14-6-5-10(11,12)13/h9,14,16H,3-8H2,1-2H3
InChIKeyAXTXXJSMGAQJHE-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703
1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283
1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722387
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 114169381
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
1-(diethylamino)-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 54967373
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
CID 114184079
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 66173067
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
CID 106173796

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 63226974) is 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol is CCN(CC)CC(O)CNCCC(F)(F)F.
What is the InChIKey of 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is AXTXXJSMGAQJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-3-15(4-2)8-9(16)7-14-6-5-10(11,12)13/h9,14,16H,3-8H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol has a molecular weight of 242.28 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 63226974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).