2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol

C16H18F3NO2 — CID 111468367

IUPAC2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H18F3NO2/c1-11-6-7-14(22-11)15(2,21)10-20-9-12-4-3-5-13(8-12)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3
InChIKeyYZWWMTBYDAGNJO-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.60
Rot. Bonds5

About 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol

2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol (PubChem CID 111468367) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
PubChem CID111468367
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H18F3NO2/c1-11-6-7-14(22-11)15(2,21)10-20-9-12-4-3-5-13(8-12)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3
InChIKeyYZWWMTBYDAGNJO-UHFFFAOYSA-N
XLogP3.60
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 109482142
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468364
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
1-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468543
1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468482
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468456
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol (CID 111468367) is 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol is Cc1ccc(C(C)(O)CNCc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The InChIKey is YZWWMTBYDAGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-11-6-7-14(22-11)15(2,21)10-20-9-12-4-3-5-13(8-12)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol has a molecular weight of 313.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 111468367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).