2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol

C9H19F3N2O — CID 103366460

IUPAC2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol
SMILESCN(CC(CN)C(F)(F)F)C(C)(C)CO
InChIInChI=1S/C9H19F3N2O/c1-8(2,6-15)14(3)5-7(4-13)9(10,11)12/h7,15H,4-6,13H2,1-3H3
InChIKeyBTJTYMYYNUWIBO-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.83
Rot. Bonds5

About 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol

2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol (PubChem CID 103366460) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol
PubChem CID103366460
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol
SMILESCN(CC(CN)C(F)(F)F)C(C)(C)CO
InChIInChI=1S/C9H19F3N2O/c1-8(2,6-15)14(3)5-7(4-13)9(10,11)12/h7,15H,4-6,13H2,1-3H3
InChIKeyBTJTYMYYNUWIBO-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(tert-butylamino)-4,4-difluorobutan-1-ol
CID 177078690
2-(Tert-butylamino)-4,4-difluorobutan-1-ol
CID 177078692
(2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol
CID 177078708
(2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol
CID 177078728
(2R)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol
CID 177078733
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol
CID 54993859
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol
CID 60980629
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol
CID 61424874
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol
CID 61444798
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-propan-2-ylamino]ethanol
CID 61580616
1-Amino-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 61605754
1-Amino-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 61605826

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol (CID 103366460) is 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol is CN(CC(CN)C(F)(F)F)C(C)(C)CO.
What is the InChIKey of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol?
The InChIKey is BTJTYMYYNUWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(2,6-15)14(3)5-7(4-13)9(10,11)12/h7,15H,4-6,13H2,1-3H3.
What are the key properties of 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol?
2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol has a molecular weight of 228.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 103366460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).