N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine

C15H15ClN2S — CID 78968564

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc2c(CNCCc3cccs3)c[nH]c2c1
InChIInChI=1S/C15H15ClN2S/c16-12-3-4-14-11(10-18-15(14)8-12)9-17-6-5-13-2-1-7-19-13/h1-4,7-8,10,17-18H,5-6,9H2
InChIKeyHQIYSIOMQYKBCZ-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.22
Rot. Bonds5

About N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine

N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 78968564) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID78968564
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc2c(CNCCc3cccs3)c[nH]c2c1
InChIInChI=1S/C15H15ClN2S/c16-12-3-4-14-11(10-18-15(14)8-12)9-17-6-5-13-2-1-7-19-13/h1-4,7-8,10,17-18H,5-6,9H2
InChIKeyHQIYSIOMQYKBCZ-UHFFFAOYSA-N
XLogP4.22
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.22
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

N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 78968532
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 43425059
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
N-[2-(6-chloro-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113083889
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113487350
N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 43312639
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-[(6-chloro-1H-indol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106425605
2-[(6-chloro-1H-indol-3-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335391
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine (CID 78968564) is N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine is Clc1ccc2c(CNCCc3cccs3)c[nH]c2c1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is HQIYSIOMQYKBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c16-12-3-4-14-11(10-18-15(14)8-12)9-17-6-5-13-2-1-7-19-13/h1-4,7-8,10,17-18H,5-6,9H2.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine?
N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 290.82 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 78968564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).