2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol

C22H28N2O2 — CID 15925652

IUPAC2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol
SMILESCNCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C22H28N2O2/c1-16-20-15-19(26)11-12-21(20)24(14-6-4-3-5-13-23-2)22(16)17-7-9-18(25)10-8-17/h7-12,15,23,25-26H,3-6,13-14H2,1-2H3
InChIKeyRKYYYXKNEAHTLG-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.81
Rot. Bonds8

About 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol

2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol (PubChem CID 15925652) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol
PubChem CID15925652
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol
SMILESCNCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C22H28N2O2/c1-16-20-15-19(26)11-12-21(20)24(14-6-4-3-5-13-23-2)22(16)17-7-9-18(25)10-8-17/h7-12,15,23,25-26H,3-6,13-14H2,1-2H3
InChIKeyRKYYYXKNEAHTLG-UHFFFAOYSA-N
XLogP4.81
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.81
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-[6-(methylamino)hexyl]indol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol (CID 15925652) is 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol is CNCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol?
The InChIKey is RKYYYXKNEAHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-20-15-19(26)11-12-21(20)24(14-6-4-3-5-13-23-2)22(16)17-7-9-18(25)10-8-17/h7-12,15,23,25-26H,3-6,13-14H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol?
2-(4-hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol has a molecular weight of 352.48 g/mol, XLogP of 4.81, 8 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-[6-(methylamino)hexyl]indol-5-ol is sourced from PubChem (CID 15925652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).