2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine

C15H16N2S — CID 4719995

IUPAC2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N2S/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-6,9-10,16-17H,7-8,11H2
InChIKeyMKSYHZONULKPFE-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.56
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 4719995) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID4719995
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N2S/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-6,9-10,16-17H,7-8,11H2
InChIKeyMKSYHZONULKPFE-UHFFFAOYSA-N
XLogP3.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2996929
2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine
CID 66387708
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
CID 44664324
2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
CID 53494268
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
CID 78968564
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 4719995) is 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CNCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is MKSYHZONULKPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-6,9-10,16-17H,7-8,11H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 256.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 4719995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).