N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C18H22N2S — CID 107235503

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2c(C)c3ccccc3n2C)s1
InChIInChI=1S/C18H22N2S/c1-12-9-10-18(21-12)14(3)19-11-17-13(2)15-7-5-6-8-16(15)20(17)4/h5-10,14,19H,11H2,1-4H3
InChIKeyNFXZYVUQMYIFSN-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.71
Rot. Bonds4

About N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 107235503) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID107235503
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2c(C)c3ccccc3n2C)s1
InChIInChI=1S/C18H22N2S/c1-12-9-10-18(21-12)14(3)19-11-17-13(2)15-7-5-6-8-16(15)20(17)4/h5-10,14,19H,11H2,1-4H3
InChIKeyNFXZYVUQMYIFSN-UHFFFAOYSA-N
XLogP4.71
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.71
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-(5-methylthiophen-2-yl)ethanamine
CID 63001054
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107235763
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 107236349

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 107235503) is N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCc2c(C)c3ccccc3n2C)s1.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is NFXZYVUQMYIFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-12-9-10-18(21-12)14(3)19-11-17-13(2)15-7-5-6-8-16(15)20(17)4/h5-10,14,19H,11H2,1-4H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 298.46 g/mol, XLogP of 4.71, 4 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-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 107235503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).