3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol

C21H21NO2 — CID 3060495

IUPAC3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESCC(C/N=C/c1ccco1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO2/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,16-17,23H,15H2,1H3/b22-16+
InChIKeyPLDZGJXWHJQSAN-CJLVFECKSA-N
MW319.40 g/mol
LogP4.27
Rot. Bonds6

About 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol

3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol (PubChem CID 3060495) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol
PubChem CID3060495
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESCC(C/N=C/c1ccco1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO2/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,16-17,23H,15H2,1H3/b22-16+
InChIKeyPLDZGJXWHJQSAN-CJLVFECKSA-N
XLogP4.27
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol (CID 3060495) is 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol is CC(C/N=C/c1ccco1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
The InChIKey is PLDZGJXWHJQSAN-CJLVFECKSA-N. The full InChI is InChI=1S/C21H21NO2/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,16-17,23H,15H2,1H3/b22-16+.
What are the key properties of 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol has a molecular weight of 319.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 3060495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).