N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine

C17H20N2S — CID 10016747

IUPACN,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine
SMILESCc1ccc(-c2ccc3[nH]cc(CCN(C)C)c3c2)s1
InChIInChI=1S/C17H20N2S/c1-12-4-7-17(20-12)13-5-6-16-15(10-13)14(11-18-16)8-9-19(2)3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyWILOFOZUFXLLII-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.31
Rot. Bonds4

About N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10016747) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine
PubChem CID10016747
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine
SMILESCc1ccc(-c2ccc3[nH]cc(CCN(C)C)c3c2)s1
InChIInChI=1S/C17H20N2S/c1-12-4-7-17(20-12)13-5-6-16-15(10-13)14(11-18-16)8-9-19(2)3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyWILOFOZUFXLLII-UHFFFAOYSA-N
XLogP4.31
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine (CID 10016747) is N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine is Cc1ccc(-c2ccc3[nH]cc(CCN(C)C)c3c2)s1.
What is the InChIKey of N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is WILOFOZUFXLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-4-7-17(20-12)13-5-6-16-15(10-13)14(11-18-16)8-9-19(2)3/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 284.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10016747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).