2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

C16H17F6N3O — CID 54577658

IUPAC2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESCN(CCN)CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H17F6N3O/c1-25(6-5-23)8-12(26)10-7-13(16(20,21)22)24-14-9(10)3-2-4-11(14)15(17,18)19/h2-4,7,12,26H,5-6,8,23H2,1H3
InChIKeyWAUUCTJKGIPDOX-UHFFFAOYSA-N
MW381.32 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (PubChem CID 54577658) has the molecular formula C16H17F6N3O and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
PubChem CID54577658
Molecular FormulaC16H17F6N3O
Molecular Weight381.32 g/mol
Exact Mass381.13
IUPAC Name2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESCN(CCN)CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H17F6N3O/c1-25(6-5-23)8-12(26)10-7-13(16(20,21)22)24-14-9(10)3-2-4-11(14)15(17,18)19/h2-4,7,12,26H,5-6,8,23H2,1H3
InChIKeyWAUUCTJKGIPDOX-UHFFFAOYSA-N
XLogP3.20
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (CID 54577658) is 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is CN(CCN)CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The InChIKey is WAUUCTJKGIPDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6N3O/c1-25(6-5-23)8-12(26)10-7-13(16(20,21)22)24-14-9(10)3-2-4-11(14)15(17,18)19/h2-4,7,12,26H,5-6,8,23H2,1H3.
What are the key properties of 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol has a molecular weight of 381.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is sourced from PubChem (CID 54577658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).