1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol

C10H21F3N2O — CID 64820228

IUPAC1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCC(C)N(CCC(C)(O)CN)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-8(2)15(7-10(11,12)13)5-4-9(3,16)6-14/h8,16H,4-7,14H2,1-3H3
InChIKeyDUFBCPXWFODKEA-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.36
Rot. Bonds6

About 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol

1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol (PubChem CID 64820228) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
PubChem CID64820228
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCC(C)N(CCC(C)(O)CN)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-8(2)15(7-10(11,12)13)5-4-9(3,16)6-14/h8,16H,4-7,14H2,1-3H3
InChIKeyDUFBCPXWFODKEA-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol (CID 64820228) is 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol is CC(C)N(CCC(C)(O)CN)CC(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The InChIKey is DUFBCPXWFODKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-8(2)15(7-10(11,12)13)5-4-9(3,16)6-14/h8,16H,4-7,14H2,1-3H3.
What are the key properties of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol?
1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol has a molecular weight of 242.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol is sourced from PubChem (CID 64820228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).