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

C16H21NO2 — CID 65188216

IUPAC3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H21NO2/c1-10-5-4-6-13(7-10)15(9-17)16(18)14-8-11(2)19-12(14)3/h4-8,15-16,18H,9,17H2,1-3H3
InChIKeyBHRIPIVFBPQPRX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.98
Rot. Bonds4

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

3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 65188216) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
PubChem CID65188216
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H21NO2/c1-10-5-4-6-13(7-10)15(9-17)16(18)14-8-11(2)19-12(14)3/h4-8,15-16,18H,9,17H2,1-3H3
InChIKeyBHRIPIVFBPQPRX-UHFFFAOYSA-N
XLogP2.98
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol
CID 65186084
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol (CID 65188216) is 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CN)C(O)c2cc(C)oc2C)c1.
What is the InChIKey of 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is BHRIPIVFBPQPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-5-4-6-13(7-10)15(9-17)16(18)14-8-11(2)19-12(14)3/h4-8,15-16,18H,9,17H2,1-3H3.
What are the key properties of 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol?
3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 65188216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).