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

C9H19F3N2O2 — CID 103366245

IUPAC1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-14(5-8(15)6-16-2)4-7(3-13)9(10,11)12/h7-8,15H,3-6,13H2,1-2H3
InChIKeyWHEMGCPGISAGAE-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.06
Rot. Bonds7

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

1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 103366245) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID103366245
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-14(5-8(15)6-16-2)4-7(3-13)9(10,11)12/h7-8,15H,3-6,13H2,1-2H3
InChIKeyWHEMGCPGISAGAE-UHFFFAOYSA-N
XLogP0.06
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 118190059
(2R)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 118190392
(2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 118190482
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 118190484
1-[2-Aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 123507480
1-[Methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 123950072
1-(Propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 43166140
1-(Propylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 43166269
1-(2-Methylpropoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 55031739
1-(2-Ethoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632384
1-(2-Methylpropoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632385
1-(2-Propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632508

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol (CID 103366245) is 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)CC(CN)C(F)(F)F.
What is the InChIKey of 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is WHEMGCPGISAGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-14(5-8(15)6-16-2)4-7(3-13)9(10,11)12/h7-8,15H,3-6,13H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol?
1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 244.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103366245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).