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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[(Furan-2-ylmethyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
CID 135447669
N-[(E)-2-Furylmethylidene]-2-phenylethanamine
CID 572635
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-(4-phenylmethoxyphenyl)methanimine
CID 9612801
N-benzhydryl-1-(furan-2-yl)methanimine
CID 10730134
1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine oxide
CID 134996858
1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
CID 134996991
1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 135078097
1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine
CID 135087120
N-tert-butyl-1-[2-[(E)-1,2-diphenylethenyl]furan-3-yl]methanimine
CID 176423142
N-tert-butyl-1-[2-[(E)-1-phenylprop-1-en-2-yl]furan-3-yl]methanimine
CID 176423143
(E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine
CID 54610296
(E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine
CID 54610328

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).