N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine

C15H21ClN2O — CID 63879375

IUPACN-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O/c1-2-19-11-3-7-17-8-10-18-9-6-13-12-14(16)4-5-15(13)18/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3
InChIKeyMANOXSMTGVZSPY-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine

N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 63879375) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
PubChem CID63879375
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O/c1-2-19-11-3-7-17-8-10-18-9-6-13-12-14(16)4-5-15(13)18/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3
InChIKeyMANOXSMTGVZSPY-UHFFFAOYSA-N
XLogP3.31
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine 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-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine (CID 63879375) is N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNCCn1ccc2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is MANOXSMTGVZSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-19-11-3-7-17-8-10-18-9-6-13-12-14(16)4-5-15(13)18/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3.
What are the key properties of N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 280.80 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 63879375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).