3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol

C15H19NO2 — CID 54216182

IUPAC3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol
SMILESCNC(Cc1ccco1)C(O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-11-5-7-12(8-6-11)15(17)14(16-2)10-13-4-3-9-18-13/h3-9,14-17H,10H2,1-2H3
InChIKeyPZISCCBHQYHJSA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.45
Rot. Bonds5

About 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol

3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol (PubChem CID 54216182) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol
PubChem CID54216182
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol
SMILESCNC(Cc1ccco1)C(O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-11-5-7-12(8-6-11)15(17)14(16-2)10-13-4-3-9-18-13/h3-9,14-17H,10H2,1-2H3
InChIKeyPZISCCBHQYHJSA-UHFFFAOYSA-N
XLogP2.45
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol (CID 54216182) is 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol is CNC(Cc1ccco1)C(O)c1ccc(C)cc1.
What is the InChIKey of 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is PZISCCBHQYHJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-5-7-12(8-6-11)15(17)14(16-2)10-13-4-3-9-18-13/h3-9,14-17H,10H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol?
3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 54216182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).