1-(thiophen-2-ylmethyl)indol-6-amine

C13H12N2S — CID 43308863

IUPAC1-(thiophen-2-ylmethyl)indol-6-amine
SMILESNc1ccc2ccn(Cc3cccs3)c2c1
InChIInChI=1S/C13H12N2S/c14-11-4-3-10-5-6-15(13(10)8-11)9-12-2-1-7-16-12/h1-8H,9,14H2
InChIKeyBWMDUESBCGSQPU-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.33
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)indol-6-amine

1-(thiophen-2-ylmethyl)indol-6-amine (PubChem CID 43308863) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)indol-6-amine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)indol-6-amine
PubChem CID43308863
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name1-(thiophen-2-ylmethyl)indol-6-amine
SMILESNc1ccc2ccn(Cc3cccs3)c2c1
InChIInChI=1S/C13H12N2S/c14-11-4-3-10-5-6-15(13(10)8-11)9-12-2-1-7-16-12/h1-8H,9,14H2
InChIKeyBWMDUESBCGSQPU-UHFFFAOYSA-N
XLogP3.33
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzylindol-6-amine
CID 69325204
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353
2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 62508021
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
1-(methoxymethyl)indol-6-amine
CID 65365107
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
1-(cyclobutylmethyl)indol-6-amine
CID 65457807
2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62562363
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine
CID 43165363

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)indol-6-amine?
The IUPAC name of 1-(thiophen-2-ylmethyl)indol-6-amine (CID 43308863) is 1-(thiophen-2-ylmethyl)indol-6-amine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)indol-6-amine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)indol-6-amine is Nc1ccc2ccn(Cc3cccs3)c2c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)indol-6-amine?
The InChIKey is BWMDUESBCGSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c14-11-4-3-10-5-6-15(13(10)8-11)9-12-2-1-7-16-12/h1-8H,9,14H2.
What are the key properties of 1-(thiophen-2-ylmethyl)indol-6-amine?
1-(thiophen-2-ylmethyl)indol-6-amine has a molecular weight of 228.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)indol-6-amine is sourced from PubChem (CID 43308863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).