N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine

C17H20N2OS — CID 83164912

IUPACN-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCOc1cccc2c1ccn2CCNC(C)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-13(17-7-4-12-21-17)18-9-11-19-10-8-14-15(19)5-3-6-16(14)20-2/h3-8,10,12-13,18H,9,11H2,1-2H3
InChIKeyQIRXIXGKWQGUHQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine

N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 83164912) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID83164912
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCOc1cccc2c1ccn2CCNC(C)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-13(17-7-4-12-21-17)18-9-11-19-10-8-14-15(19)5-3-6-16(14)20-2/h3-8,10,12-13,18H,9,11H2,1-2H3
InChIKeyQIRXIXGKWQGUHQ-UHFFFAOYSA-N
XLogP4.06
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
CID 83164895
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62804293
1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile
CID 107916964
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
5-[2-(1-thiophen-2-ylethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912125
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63504332
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine (CID 83164912) is N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine is COc1cccc2c1ccn2CCNC(C)c1cccs1.
What is the InChIKey of N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is QIRXIXGKWQGUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(17-7-4-12-21-17)18-9-11-19-10-8-14-15(19)5-3-6-16(14)20-2/h3-8,10,12-13,18H,9,11H2,1-2H3.
What are the key properties of N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 300.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 83164912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).