2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C10H21F3N2O — CID 64828088

IUPAC2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CC(CO)NCC)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-5-15(8-10(11,12)13)6-9(7-16)14-4-2/h9,14,16H,3-8H2,1-2H3
InChIKeyQQMCLWWPHOATPO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.23
Rot. Bonds8

About 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 64828088) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID64828088
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CC(CO)NCC)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-5-15(8-10(11,12)13)6-9(7-16)14-4-2/h9,14,16H,3-8H2,1-2H3
InChIKeyQQMCLWWPHOATPO-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine
CID 106799639
4-(dipropylamino)-3-(ethylamino)butan-1-ol
CID 64899669
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
3-(dipropylamino)-2-(methylamino)propan-1-ol
CID 64797176
3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
CID 64827973
4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
CID 64789571
3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898163
1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745631
2-(ethylamino)-4-[methyl(propyl)amino]butan-1-ol
CID 64798712
1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 64828088) is 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is CCCN(CC(CO)NCC)CC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is QQMCLWWPHOATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-3-5-15(8-10(11,12)13)6-9(7-16)14-4-2/h9,14,16H,3-8H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 242.28 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 64828088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).