N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C18H22N2S — CID 107235513

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1c(C)c2ccccc2n1C)c1cccs1
InChIInChI=1S/C18H22N2S/c1-4-15(18-10-7-11-21-18)19-12-17-13(2)14-8-5-6-9-16(14)20(17)3/h5-11,15,19H,4,12H2,1-3H3
InChIKeySPOZSIBTIOAISK-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.79
Rot. Bonds5

About N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 107235513) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID107235513
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1c(C)c2ccccc2n1C)c1cccs1
InChIInChI=1S/C18H22N2S/c1-4-15(18-10-7-11-21-18)19-12-17-13(2)14-8-5-6-9-16(14)20(17)3/h5-11,15,19H,4,12H2,1-3H3
InChIKeySPOZSIBTIOAISK-UHFFFAOYSA-N
XLogP4.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 63001715
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 107235503
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107235763
2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 66413550
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
N-(isoquinolin-4-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 115904955
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 107236349
1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107235680
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 107235513) is N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1c(C)c2ccccc2n1C)c1cccs1.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is SPOZSIBTIOAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-4-15(18-10-7-11-21-18)19-12-17-13(2)14-8-5-6-9-16(14)20(17)3/h5-11,15,19H,4,12H2,1-3H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 107235513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).