3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol

C9H19F3N2O — CID 64898163

IUPAC3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-13-8(4-5-15)6-14(2)7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyBBXBLBKYUORZQW-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.84
Rot. Bonds7

About 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol

3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol (PubChem CID 64898163) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
PubChem CID64898163
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-13-8(4-5-15)6-14(2)7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyBBXBLBKYUORZQW-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
CID 64827973
3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850353
4-[cyclohexylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897747
4-(dipropylamino)-3-(ethylamino)butan-1-ol
CID 64899669
4-[cycloheptyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897532
2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044491
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64828088
2-(ethylamino)-3-[ethyl(methyl)amino]propan-1-ol
CID 64797636
3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol
CID 64899898
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64899700

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol (CID 64898163) is 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol is CCNC(CCO)CN(C)CC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The InChIKey is BBXBLBKYUORZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-13-8(4-5-15)6-14(2)7-9(10,11)12/h8,13,15H,3-7H2,1-2H3.
What are the key properties of 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol has a molecular weight of 228.26 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol is sourced from PubChem (CID 64898163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).