2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol

C21H27N3O — CID 124786070

IUPAC2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
SMILESOCCNCCCNCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H27N3O/c25-14-13-22-11-6-12-23-15-19-17-24(16-18-7-2-1-3-8-18)21-10-5-4-9-20(19)21/h1-5,7-10,17,22-23,25H,6,11-16H2
InChIKeyPSDHMVFTDNTYRC-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.75
Rot. Bonds10

About 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol

2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol (PubChem CID 124786070) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
PubChem CID124786070
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
SMILESOCCNCCCNCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H27N3O/c25-14-13-22-11-6-12-23-15-19-17-24(16-18-7-2-1-3-8-18)21-10-5-4-9-20(19)21/h1-5,7-10,17,22-23,25H,6,11-16H2
InChIKeyPSDHMVFTDNTYRC-UHFFFAOYSA-N
XLogP2.75
TPSA49.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.75
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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Related Compounds

3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
2-(1-benzylindol-3-yl)ethanol
CID 13134935
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
CID 124786059
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol?
The IUPAC name of 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol (CID 124786070) is 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol?
The canonical SMILES for 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol is OCCNCCCNCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol?
The InChIKey is PSDHMVFTDNTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-14-13-22-11-6-12-23-15-19-17-24(16-18-7-2-1-3-8-18)21-10-5-4-9-20(19)21/h1-5,7-10,17,22-23,25H,6,11-16H2.
What are the key properties of 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol?
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol has a molecular weight of 337.47 g/mol, XLogP of 2.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol is sourced from PubChem (CID 124786070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).