3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

C6H13F3N2O — CID 63900067

IUPAC3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CCN)CC(O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-11(3-2-10)4-5(12)6(7,8)9/h5,12H,2-4,10H2,1H3
InChIKeyMVRCTSUEEPHZMH-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.20
Rot. Bonds4

About 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900067) has the molecular formula C6H13F3N2O and a molecular weight of 186.18 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900067
Molecular FormulaC6H13F3N2O
Molecular Weight186.18 g/mol
Exact Mass186.10
IUPAC Name3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CCN)CC(O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-11(3-2-10)4-5(12)6(7,8)9/h5,12H,2-4,10H2,1H3
InChIKeyMVRCTSUEEPHZMH-UHFFFAOYSA-N
XLogP-0.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxypropyl)-1,2-ethanediamine
CID 101594
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
2-Propanol, 1-[(2-aminoethyl)amino]-, N-(2-aminoethyl) deriv.
CID 107085
(2S)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol hydrochloride
CID 165997674
(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol hydrochloride
CID 165999154
1,1,1-Trifluoro-3-(piperazin-1-yl)propan-2-ol
CID 4690691
1-(2,2,2-Trifluoroethylamino)propan-2-ol
CID 43499848
(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
CID 58168849
3-((2-Aminoethyl)amino)-1,1,1-trifluoropropan-2-ol
CID 63899233
1,1,1-Trifluoro-3-(propylamino)propan-2-ol
CID 63902089
3-{[2-(Dimethylamino)ethyl]amino}-1,1,1-trifluoropropan-2-ol
CID 63902289

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63900067) is 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CN(CCN)CC(O)C(F)(F)F.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is MVRCTSUEEPHZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O/c1-11(3-2-10)4-5(12)6(7,8)9/h5,12H,2-4,10H2,1H3.
What are the key properties of 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 186.18 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).