2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine

C15H17N3S — CID 66387708

IUPAC2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3S/c16-13-6-8-19-15(13)10-17-7-5-11-9-18-14-4-2-1-3-12(11)14/h1-4,6,8-9,17-18H,5,7,10,16H2
InChIKeyOZFMGMUQKOVISY-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.14
Rot. Bonds5

About 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine

2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine (PubChem CID 66387708) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine
PubChem CID66387708
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3S/c16-13-6-8-19-15(13)10-17-7-5-11-9-18-14-4-2-1-3-12(11)14/h1-4,6,8-9,17-18H,5,7,10,16H2
InChIKeyOZFMGMUQKOVISY-UHFFFAOYSA-N
XLogP3.14
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
CID 4719995
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2996929
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-(1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]ethanamine;hydrobromide
CID 75531274
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine (CID 66387708) is 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine?
The InChIKey is OZFMGMUQKOVISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c16-13-6-8-19-15(13)10-17-7-5-11-9-18-14-4-2-1-3-12(11)14/h1-4,6,8-9,17-18H,5,7,10,16H2.
What are the key properties of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine?
2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine has a molecular weight of 271.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).