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

C16H17ClN2S — CID 62804293

IUPACN-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCn1cc(Cl)c2ccccc21)c1cccs1
InChIInChI=1S/C16H17ClN2S/c1-12(16-7-4-10-20-16)18-8-9-19-11-14(17)13-5-2-3-6-15(13)19/h2-7,10-12,18H,8-9H2,1H3
InChIKeyZXFWUDNRJUGJNC-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.71
Rot. Bonds5

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

N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 62804293) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID62804293
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC NameN-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCn1cc(Cl)c2ccccc21)c1cccs1
InChIInChI=1S/C16H17ClN2S/c1-12(16-7-4-10-20-16)18-8-9-19-11-14(17)13-5-2-3-6-15(13)19/h2-7,10-12,18H,8-9H2,1H3
InChIKeyZXFWUDNRJUGJNC-UHFFFAOYSA-N
XLogP4.71
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine (CID 62804293) is N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine is CC(NCCn1cc(Cl)c2ccccc21)c1cccs1.
What is the InChIKey of N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZXFWUDNRJUGJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-12(16-7-4-10-20-16)18-8-9-19-11-14(17)13-5-2-3-6-15(13)19/h2-7,10-12,18H,8-9H2,1H3.
What are the key properties of N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 304.85 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62804293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).