2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol

C11H23F3N2O — CID 64826085

IUPAC2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCN(CC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-15-10(3,9-17)6-7-16(5-2)8-11(12,13)14/h15,17H,4-9H2,1-3H3
InChIKeyQLXXDHDVSNFOAS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds8

About 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol

2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol (PubChem CID 64826085) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol
PubChem CID64826085
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCN(CC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-15-10(3,9-17)6-7-16(5-2)8-11(12,13)14/h15,17H,4-9H2,1-3H3
InChIKeyQLXXDHDVSNFOAS-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825293
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496
2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809373
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]-2-methylbutan-1-ol
CID 64797860
2-(ethylamino)-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64789633
4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol
CID 102998403
5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64788989
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554982
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol
CID 64796168
2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol
CID 64826486
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827009

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol (CID 64826085) is 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol is CCNC(C)(CO)CCN(CC)CC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol?
The InChIKey is QLXXDHDVSNFOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-4-15-10(3,9-17)6-7-16(5-2)8-11(12,13)14/h15,17H,4-9H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol?
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol has a molecular weight of 256.31 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64826085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).