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

C22H22N2O2 — CID 155515399

IUPAC4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol
SMILESCC(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(O)cc2)o1
InChIInChI=1S/C22H22N2O2/c1-15(12-17-13-24-21-5-3-2-4-20(17)21)23-14-19-10-11-22(26-19)16-6-8-18(25)9-7-16/h2-11,13,15,23-25H,12,14H2,1H3
InChIKeyWYCCDNAEQOSMTB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.85
Rot. Bonds6

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

4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol (PubChem CID 155515399) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol
PubChem CID155515399
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol
SMILESCC(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(O)cc2)o1
InChIInChI=1S/C22H22N2O2/c1-15(12-17-13-24-21-5-3-2-4-20(17)21)23-14-19-10-11-22(26-19)16-6-8-18(25)9-7-16/h2-11,13,15,23-25H,12,14H2,1H3
InChIKeyWYCCDNAEQOSMTB-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
The IUPAC name of 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol (CID 155515399) is 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
The canonical SMILES for 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol is CC(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
The InChIKey is WYCCDNAEQOSMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(12-17-13-24-21-5-3-2-4-20(17)21)23-14-19-10-11-22(26-19)16-6-8-18(25)9-7-16/h2-11,13,15,23-25H,12,14H2,1H3.
What are the key properties of 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol has a molecular weight of 346.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[1-(1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol is sourced from PubChem (CID 155515399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).