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

C20H24N2O2 — CID 127049794

IUPAC2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol
SMILESCNCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C20H24N2O2/c1-14-18-13-17(24)9-10-19(18)22(12-4-3-11-21-2)20(14)15-5-7-16(23)8-6-15/h5-10,13,21,23-24H,3-4,11-12H2,1-2H3
InChIKeyBYPDCVLJTSRVNZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.03
Rot. Bonds6

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

2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol (PubChem CID 127049794) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol
PubChem CID127049794
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol
SMILESCNCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C20H24N2O2/c1-14-18-13-17(24)9-10-19(18)22(12-4-3-11-21-2)20(14)15-5-7-16(23)8-6-15/h5-10,13,21,23-24H,3-4,11-12H2,1-2H3
InChIKeyBYPDCVLJTSRVNZ-UHFFFAOYSA-N
XLogP4.03
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.03
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-[4-(methylamino)butyl]indol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol (CID 127049794) is 2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol is CNCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol?
The InChIKey is BYPDCVLJTSRVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-18-13-17(24)9-10-19(18)22(12-4-3-11-21-2)20(14)15-5-7-16(23)8-6-15/h5-10,13,21,23-24H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol?
2-(4-hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol has a molecular weight of 324.42 g/mol, XLogP of 4.03, 6 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-[4-(methylamino)butyl]indol-5-ol is sourced from PubChem (CID 127049794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).