3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol

C17H23NO2 — CID 65189896

IUPAC3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol
SMILESCc1occc1C(O)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-11(2)13-4-6-14(7-5-13)16(10-18)17(19)15-8-9-20-12(15)3/h4-9,11,16-17,19H,10,18H2,1-3H3
InChIKeyPDQYSRCUXYIGSU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.49
Rot. Bonds5

About 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol

3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 65189896) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID65189896
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol
SMILESCc1occc1C(O)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-11(2)13-4-6-14(7-5-13)16(10-18)17(19)15-8-9-20-12(15)3/h4-9,11,16-17,19H,10,18H2,1-3H3
InChIKeyPDQYSRCUXYIGSU-UHFFFAOYSA-N
XLogP3.49
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol
CID 65186084
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol (CID 65189896) is 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol is Cc1occc1C(O)C(CN)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is PDQYSRCUXYIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)13-4-6-14(7-5-13)16(10-18)17(19)15-8-9-20-12(15)3/h4-9,11,16-17,19H,10,18H2,1-3H3.
What are the key properties of 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol?
3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 65189896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).