N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine

C16H17ClN2S — CID 62562734

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine
SMILESCc1cn(CCNCc2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C16H17ClN2S/c1-12-11-19(15-5-3-2-4-14(12)15)9-8-18-10-13-6-7-16(17)20-13/h2-7,11,18H,8-10H2,1H3
InChIKeyIHOJVMZYMIGLGN-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.45
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine (PubChem CID 62562734) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine
PubChem CID62562734
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine
SMILESCc1cn(CCNCc2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C16H17ClN2S/c1-12-11-19(15-5-3-2-4-14(12)15)9-8-18-10-13-6-7-16(17)20-13/h2-7,11,18H,8-10H2,1H3
InChIKeyIHOJVMZYMIGLGN-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine (CID 62562734) is N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine is Cc1cn(CCNCc2ccc(Cl)s2)c2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine?
The InChIKey is IHOJVMZYMIGLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-12-11-19(15-5-3-2-4-14(12)15)9-8-18-10-13-6-7-16(17)20-13/h2-7,11,18H,8-10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine has a molecular weight of 304.85 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylindol-1-yl)ethanamine is sourced from PubChem (CID 62562734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).