3-[(1-benzylindol-3-yl)methylamino]propan-1-ol

C19H22N2O — CID 119027419

IUPAC3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
SMILESOCCCNCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N2O/c22-12-6-11-20-13-17-15-21(14-16-7-2-1-3-8-16)19-10-5-4-9-18(17)19/h1-5,7-10,15,20,22H,6,11-14H2
InChIKeySTEZCOUKGAHUAY-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.16
Rot. Bonds7

About 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol

3-[(1-benzylindol-3-yl)methylamino]propan-1-ol (PubChem CID 119027419) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
PubChem CID119027419
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
SMILESOCCCNCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N2O/c22-12-6-11-20-13-17-15-21(14-16-7-2-1-3-8-16)19-10-5-4-9-18(17)19/h1-5,7-10,15,20,22H,6,11-14H2
InChIKeySTEZCOUKGAHUAY-UHFFFAOYSA-N
XLogP3.16
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
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
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
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 124818061

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol (CID 119027419) is 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol is OCCCNCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol?
The InChIKey is STEZCOUKGAHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-12-6-11-20-13-17-15-21(14-16-7-2-1-3-8-16)19-10-5-4-9-18(17)19/h1-5,7-10,15,20,22H,6,11-14H2.
What are the key properties of 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol?
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylindol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 119027419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).