3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol

C13H18F3NO3 — CID 103778618

IUPAC3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCOc1ccc(OC)c(C(C)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-8(17-7-12(18)13(14,15)16)10-6-9(19-2)4-5-11(10)20-3/h4-6,8,12,17-18H,7H2,1-3H3
InChIKeyLXMXOIUDPUFXDV-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.28
Rot. Bonds6

About 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103778618) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103778618
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCOc1ccc(OC)c(C(C)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-8(17-7-12(18)13(14,15)16)10-6-9(19-2)4-5-11(10)20-3/h4-6,8,12,17-18H,7H2,1-3H3
InChIKeyLXMXOIUDPUFXDV-UHFFFAOYSA-N
XLogP2.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732147
1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904967
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 97349384
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 103778618) is 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol is COc1ccc(OC)c(C(C)NCC(O)C(F)(F)F)c1.
What is the InChIKey of 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LXMXOIUDPUFXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-8(17-7-12(18)13(14,15)16)10-6-9(19-2)4-5-11(10)20-3/h4-6,8,12,17-18H,7H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103778618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).