1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol

C11H23F3N2O — CID 115475408

IUPAC1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
SMILESCC(C)CNCC(O)CN(C)CCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-9(2)6-15-7-10(17)8-16(3)5-4-11(12,13)14/h9-10,15,17H,4-8H2,1-3H3
InChIKeyUMHXFBWJNXINDK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.48
Rot. Bonds8

About 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol

1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol (PubChem CID 115475408) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
PubChem CID115475408
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
SMILESCC(C)CNCC(O)CN(C)CCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-9(2)6-15-7-10(17)8-16(3)5-4-11(12,13)14/h9-10,15,17H,4-8H2,1-3H3
InChIKeyUMHXFBWJNXINDK-UHFFFAOYSA-N
XLogP1.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile
CID 115474840
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
CID 81019612
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908
1-(methylamino)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61429791
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
1-methyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)thiourea
CID 115591638
1-[methyl(3,3,3-trifluoropropyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110905333
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 115475479
N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 66222785
6-[methyl(3,3,3-trifluoropropyl)amino]hexan-3-ol
CID 106802444

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol (CID 115475408) is 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol is CC(C)CNCC(O)CN(C)CCC(F)(F)F.
What is the InChIKey of 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The InChIKey is UMHXFBWJNXINDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-9(2)6-15-7-10(17)8-16(3)5-4-11(12,13)14/h9-10,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol is sourced from PubChem (CID 115475408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).