2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine

C15H18N2S — CID 18070332

IUPAC2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)CN2CCc3ccccc32)s1
InChIInChI=1S/C15H18N2S/c1-11-6-7-15(18-11)13(16)10-17-9-8-12-4-2-3-5-14(12)17/h2-7,13H,8-10,16H2,1H3
InChIKeyHEAXWLWMNVJHCP-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.12
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine

2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 18070332) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID18070332
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)CN2CCc3ccccc32)s1
InChIInChI=1S/C15H18N2S/c1-11-6-7-15(18-11)13(16)10-17-9-8-12-4-2-3-5-14(12)17/h2-7,13H,8-10,16H2,1H3
InChIKeyHEAXWLWMNVJHCP-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 16780854
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
(2S)-1-(2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689711
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
CID 43367984
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 16793669

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine (CID 18070332) is 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(N)CN2CCc3ccccc32)s1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is HEAXWLWMNVJHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-6-7-15(18-11)13(16)10-17-9-8-12-4-2-3-5-14(12)17/h2-7,13H,8-10,16H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine?
2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 18070332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).