2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol

C21H26N2O2 — CID 127049795

IUPAC2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol
SMILESCNCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C21H26N2O2/c1-15-19-14-18(25)10-11-20(19)23(13-5-3-4-12-22-2)21(15)16-6-8-17(24)9-7-16/h6-11,14,22,24-25H,3-5,12-13H2,1-2H3
InChIKeyWLIMBGCOZOBDJZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.42
Rot. Bonds7

About 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol

2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol (PubChem CID 127049795) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol
PubChem CID127049795
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol
SMILESCNCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C21H26N2O2/c1-15-19-14-18(25)10-11-20(19)23(13-5-3-4-12-22-2)21(15)16-6-8-17(24)9-7-16/h6-11,14,22,24-25H,3-5,12-13H2,1-2H3
InChIKeyWLIMBGCOZOBDJZ-UHFFFAOYSA-N
XLogP4.42
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol (CID 127049795) is 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol is CNCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol?
The InChIKey is WLIMBGCOZOBDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-19-14-18(25)10-11-20(19)23(13-5-3-4-12-22-2)21(15)16-6-8-17(24)9-7-16/h6-11,14,22,24-25H,3-5,12-13H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol?
2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol has a molecular weight of 338.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol is sourced from PubChem (CID 127049795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).