3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol

C20H24N2O — CID 124815391

IUPAC3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
SMILESCc1ccc(Cn2cc(CNCCCO)c3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)14-22-15-18(13-21-11-4-12-23)19-5-2-3-6-20(19)22/h2-3,5-10,15,21,23H,4,11-14H2,1H3
InChIKeyOEVXNXJONCQPJA-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.47
Rot. Bonds7

About 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol

3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol (PubChem CID 124815391) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
PubChem CID124815391
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
SMILESCc1ccc(Cn2cc(CNCCCO)c3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)14-22-15-18(13-21-11-4-12-23)19-5-2-3-6-20(19)22/h2-3,5-10,15,21,23H,4,11-14H2,1H3
InChIKeyOEVXNXJONCQPJA-UHFFFAOYSA-N
XLogP3.47
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.47
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

3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 124812324
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
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
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol (CID 124815391) is 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol is Cc1ccc(Cn2cc(CNCCCO)c3ccccc32)cc1.
What is the InChIKey of 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol?
The InChIKey is OEVXNXJONCQPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)14-22-15-18(13-21-11-4-12-23)19-5-2-3-6-20(19)22/h2-3,5-10,15,21,23H,4,11-14H2,1H3.
What are the key properties of 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol?
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol has a molecular weight of 308.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol is sourced from PubChem (CID 124815391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).