2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride

C16H19ClN2S — CID 2996929

IUPAC2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
SMILESCc1ccc(CNCCc2c[nH]c3ccccc23)s1.Cl
InChIInChI=1S/C16H18N2S.ClH/c1-12-6-7-14(19-12)11-17-9-8-13-10-18-16-5-3-2-4-15(13)16;/h2-7,10,17-18H,8-9,11H2,1H3;1H
InChIKeyRUPZDRRFSCTFEV-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.29
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride

2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride (PubChem CID 2996929) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
PubChem CID2996929
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
SMILESCc1ccc(CNCCc2c[nH]c3ccccc23)s1.Cl
InChIInChI=1S/C16H18N2S.ClH/c1-12-6-7-14(19-12)11-17-9-8-13-10-18-16-5-3-2-4-15(13)16;/h2-7,10,17-18H,8-9,11H2,1H3;1H
InChIKeyRUPZDRRFSCTFEV-UHFFFAOYSA-N
XLogP4.29
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.29
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

1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 110997474
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111987746
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 28781264
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride (CID 2996929) is 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride is Cc1ccc(CNCCc2c[nH]c3ccccc23)s1.Cl.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
The InChIKey is RUPZDRRFSCTFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S.ClH/c1-12-6-7-14(19-12)11-17-9-8-13-10-18-16-5-3-2-4-15(13)16;/h2-7,10,17-18H,8-9,11H2,1H3;1H.
What are the key properties of 2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 4.29, 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-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 2996929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).