N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine

C16H20N2S — CID 55085249

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESc1ccc2c(c1)CCN2CCNCCc1ccsc1
InChIInChI=1S/C16H20N2S/c1-2-4-16-15(3-1)6-10-18(16)11-9-17-8-5-14-7-12-19-13-14/h1-4,7,12-13,17H,5-6,8-11H2
InChIKeyIJKHMQGXHYULMK-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 55085249) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID55085249
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESc1ccc2c(c1)CCN2CCNCCc1ccsc1
InChIInChI=1S/C16H20N2S/c1-2-4-16-15(3-1)6-10-18(16)11-9-17-8-5-14-7-12-19-13-14/h1-4,7,12-13,17H,5-6,8-11H2
InChIKeyIJKHMQGXHYULMK-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62573733
1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
CID 25056
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
CID 104961122
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 65286725
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine (CID 55085249) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine is c1ccc2c(c1)CCN2CCNCCc1ccsc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is IJKHMQGXHYULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-4-16-15(3-1)6-10-18(16)11-9-17-8-5-14-7-12-19-13-14/h1-4,7,12-13,17H,5-6,8-11H2.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 272.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 55085249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).