1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol

C9H19F3N2O — CID 106147551

IUPAC1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(15,7-14(2)3)6-13-5-4-9(10,11)12/h13,15H,4-7H2,1-3H3
InChIKeyNEUMUPVEZDGOEN-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.84
Rot. Bonds6

About 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 106147551) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID106147551
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(15,7-14(2)3)6-13-5-4-9(10,11)12/h13,15H,4-7H2,1-3H3
InChIKeyNEUMUPVEZDGOEN-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 106147551) is 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol is CN(C)CC(C)(O)CNCCC(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is NEUMUPVEZDGOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(15,7-14(2)3)6-13-5-4-9(10,11)12/h13,15H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 106147551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).