1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol

C15H23F3N2O — CID 103904346

IUPAC1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2O/c1-11(19-9-14(2,21)10-20(3)4)12-6-5-7-13(8-12)15(16,17)18/h5-8,11,19,21H,9-10H2,1-4H3
InChIKeyHTJWKJWLOIISHE-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.67
Rot. Bonds6

About 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol (PubChem CID 103904346) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
PubChem CID103904346
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2O/c1-11(19-9-14(2,21)10-20(3)4)12-6-5-7-13(8-12)15(16,17)18/h5-8,11,19,21H,9-10H2,1-4H3
InChIKeyHTJWKJWLOIISHE-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethanol
CID 35748
1-(Benzylamino)-2-methylpropan-2-ol
CID 12896476
Methyl((1-(3-(trifluoromethyl)phenyl)ethyl))amine
CID 16771160
1-hexyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536502
1-[4-[[[3-(Trifluoromethyl)phenyl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53555332
2-[4-[[1-[4-(Trifluoromethyl)phenyl]ethylamino]methyl]piperidin-1-yl]ethanol
CID 53571972
4-[[[4-Fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol
CID 84590178
Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-
CID 485417
1-propyl-N-[3-(trifluoromethyl)benzyl]-4-piperidinamine
CID 783830
3,3,3-Trifluoro-2-((phenylmethyl)amino)-1-propanol
CID 14377426
US20240034717, Example 31.43
CID 155146243
2-(3-Trifluoromethyl-benzylamino)-ethanol
CID 11951760

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol (CID 103904346) is 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol is CC(NCC(C)(O)CN(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The InChIKey is HTJWKJWLOIISHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-11(19-9-14(2,21)10-20(3)4)12-6-5-7-13(8-12)15(16,17)18/h5-8,11,19,21H,9-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol has a molecular weight of 304.36 g/mol, XLogP of 2.67, 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-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 103904346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).