4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol

C26H31NO2 — CID 138710634

IUPAC4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol
SMILESCCC(CC(c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-3-20(21-7-5-4-6-8-21)19-26(22-9-13-24(28)14-10-22)23-11-15-25(16-12-23)29-18-17-27-2/h4-16,20,26-28H,3,17-19H2,1-2H3
InChIKeyRPPJKGJLDJVBCL-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.71
Rot. Bonds10

About 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol

4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol (PubChem CID 138710634) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol.

Molecular Properties

Compound Name4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol
PubChem CID138710634
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol
SMILESCCC(CC(c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-3-20(21-7-5-4-6-8-21)19-26(22-9-13-24(28)14-10-22)23-11-15-25(16-12-23)29-18-17-27-2/h4-16,20,26-28H,3,17-19H2,1-2H3
InChIKeyRPPJKGJLDJVBCL-UHFFFAOYSA-N
XLogP5.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
CID 154975242
bis[4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbutyl]phenyl] sulfate
CID 172991453
N-methyl-3-phenoxypropan-1-amine
CID 22067856
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
1,4-dibutoxybenzene;phenol
CID 174756360
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol
CID 123768993
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 40563834

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol?
The IUPAC name of 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol (CID 138710634) is 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol.
What is the SMILES notation for 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol?
The canonical SMILES for 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol is CCC(CC(c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1.
What is the InChIKey of 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol?
The InChIKey is RPPJKGJLDJVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-3-20(21-7-5-4-6-8-21)19-26(22-9-13-24(28)14-10-22)23-11-15-25(16-12-23)29-18-17-27-2/h4-16,20,26-28H,3,17-19H2,1-2H3.
What are the key properties of 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol?
4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol has a molecular weight of 389.54 g/mol, XLogP of 5.71, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol is sourced from PubChem (CID 138710634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).