[5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol

C20H20N2O2 — CID 70297032

IUPAC[5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol
SMILESC=C(c1ccc(CO)o1)c1ccccc1N(N)Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15(20-12-11-17(14-23)24-20)18-9-5-6-10-19(18)22(21)13-16-7-3-2-4-8-16/h2-12,23H,1,13-14,21H2
InChIKeyLEKBSAZFJZHUMD-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.71
Rot. Bonds6

About [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol

[5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol (PubChem CID 70297032) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol
PubChem CID70297032
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name[5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol
SMILESC=C(c1ccc(CO)o1)c1ccccc1N(N)Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15(20-12-11-17(14-23)24-20)18-9-5-6-10-19(18)22(21)13-16-7-3-2-4-8-16/h2-12,23H,1,13-14,21H2
InChIKeyLEKBSAZFJZHUMD-UHFFFAOYSA-N
XLogP3.71
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol (CID 70297032) is [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol is C=C(c1ccc(CO)o1)c1ccccc1N(N)Cc1ccccc1.
What is the InChIKey of [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol?
The InChIKey is LEKBSAZFJZHUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15(20-12-11-17(14-23)24-20)18-9-5-6-10-19(18)22(21)13-16-7-3-2-4-8-16/h2-12,23H,1,13-14,21H2.
What are the key properties of [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol?
[5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol has a molecular weight of 320.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[2-[amino(benzyl)amino]phenyl]ethenyl]furan-2-yl]methanol is sourced from PubChem (CID 70297032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).