3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol

C15H19NO2 — CID 101269795

IUPAC3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)C(C)(Nc1ccccc1)c1ccco1
InChIInChI=1S/C15H19NO2/c1-14(2,17)15(3,13-10-7-11-18-13)16-12-8-5-4-6-9-12/h4-11,16-17H,1-3H3
InChIKeyYWLPOZLIWQRCPZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.38
Rot. Bonds4

About 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol

3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol (PubChem CID 101269795) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol
PubChem CID101269795
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)C(C)(Nc1ccccc1)c1ccco1
InChIInChI=1S/C15H19NO2/c1-14(2,17)15(3,13-10-7-11-18-13)16-12-8-5-4-6-9-12/h4-11,16-17H,1-3H3
InChIKeyYWLPOZLIWQRCPZ-UHFFFAOYSA-N
XLogP3.38
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol?
The IUPAC name of 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol (CID 101269795) is 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol?
The canonical SMILES for 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol is CC(C)(O)C(C)(Nc1ccccc1)c1ccco1.
What is the InChIKey of 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol?
The InChIKey is YWLPOZLIWQRCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(2,17)15(3,13-10-7-11-18-13)16-12-8-5-4-6-9-12/h4-11,16-17H,1-3H3.
What are the key properties of 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol?
3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol has a molecular weight of 245.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-3-(furan-2-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 101269795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).