2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol

C20H23ClN2O2 — CID 124786059

IUPAC2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C20H23ClN2O2/c21-18-5-3-4-16(12-18)14-23-15-17(13-22-8-10-25-11-9-24)19-6-1-2-7-20(19)23/h1-7,12,15,22,24H,8-11,13-14H2
InChIKeyPDHOLEAKIHPKFS-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.44
Rot. Bonds9

About 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol

2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol (PubChem CID 124786059) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
PubChem CID124786059
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C20H23ClN2O2/c21-18-5-3-4-16(12-18)14-23-15-17(13-22-8-10-25-11-9-24)19-6-1-2-7-20(19)23/h1-7,12,15,22,24H,8-11,13-14H2
InChIKeyPDHOLEAKIHPKFS-UHFFFAOYSA-N
XLogP3.44
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol 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

N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124895108
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
1-(azepan-1-yl)-2-[1-[(3-chlorophenyl)methyl]indol-3-yl]ethanone
CID 12004832
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol (CID 124786059) is 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol is OCCOCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol?
The InChIKey is PDHOLEAKIHPKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-5-3-4-16(12-18)14-23-15-17(13-22-8-10-25-11-9-24)19-6-1-2-7-20(19)23/h1-7,12,15,22,24H,8-11,13-14H2.
What are the key properties of 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol?
2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol has a molecular weight of 358.87 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 124786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).