3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol

C17H23NO2 — CID 65185130

IUPAC3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
SMILESCc1ccccc1C(CN)C(O)c1c(C)oc(C)c1C
InChIInChI=1S/C17H23NO2/c1-10-7-5-6-8-14(10)15(9-18)17(19)16-11(2)12(3)20-13(16)4/h5-8,15,17,19H,9,18H2,1-4H3
InChIKeyRJWYMWGAIVAPPY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.29
Rot. Bonds4

About 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol

3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol (PubChem CID 65185130) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
PubChem CID65185130
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
SMILESCc1ccccc1C(CN)C(O)c1c(C)oc(C)c1C
InChIInChI=1S/C17H23NO2/c1-10-7-5-6-8-14(10)15(9-18)17(19)16-11(2)12(3)20-13(16)4/h5-8,15,17,19H,9,18H2,1-4H3
InChIKeyRJWYMWGAIVAPPY-UHFFFAOYSA-N
XLogP3.29
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185223
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
CID 79206483
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
CID 65186565
3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65186566
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol (CID 65185130) is 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol is Cc1ccccc1C(CN)C(O)c1c(C)oc(C)c1C.
What is the InChIKey of 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
The InChIKey is RJWYMWGAIVAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10-7-5-6-8-14(10)15(9-18)17(19)16-11(2)12(3)20-13(16)4/h5-8,15,17,19H,9,18H2,1-4H3.
What are the key properties of 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol is sourced from PubChem (CID 65185130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).