4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

C22H22N2O2 — CID 155513438

IUPAC4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
SMILESCc1ccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c2c1
InChIInChI=1S/C22H22N2O2/c1-15-2-8-21-20(12-15)17(13-24-21)10-11-23-14-19-7-9-22(26-19)16-3-5-18(25)6-4-16/h2-9,12-13,23-25H,10-11,14H2,1H3
InChIKeyITDSKRBULWCGTL-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.77
Rot. Bonds6

About 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (PubChem CID 155513438) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
PubChem CID155513438
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
SMILESCc1ccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c2c1
InChIInChI=1S/C22H22N2O2/c1-15-2-8-21-20(12-15)17(13-24-21)10-11-23-14-19-7-9-22(26-19)16-3-5-18(25)6-4-16/h2-9,12-13,23-25H,10-11,14H2,1H3
InChIKeyITDSKRBULWCGTL-UHFFFAOYSA-N
XLogP4.77
TPSA61.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The IUPAC name of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (CID 155513438) is 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The canonical SMILES for 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is Cc1ccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c2c1.
What is the InChIKey of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The InChIKey is ITDSKRBULWCGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-2-8-21-20(12-15)17(13-24-21)10-11-23-14-19-7-9-22(26-19)16-3-5-18(25)6-4-16/h2-9,12-13,23-25H,10-11,14H2,1H3.
What are the key properties of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol has a molecular weight of 346.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is sourced from PubChem (CID 155513438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).