2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine

C24H26N2 — CID 174813719

IUPAC2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine
SMILESC1=CCN=C1.NCCC1CCCc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C20H21N.C4H5N/c21-13-12-16-6-3-5-15-9-10-18-17-7-2-1-4-14(17)8-11-19(18)20(15)16;1-2-4-5-3-1/h1-2,4,7-11,16H,3,5-6,12-13,21H2;1-3H,4H2
InChIKeyACVWBVADAIGSAR-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.39
Rot. Bonds2

About 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine

2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine (PubChem CID 174813719) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine.

Molecular Properties

Compound Name2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine
PubChem CID174813719
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine
SMILESC1=CCN=C1.NCCC1CCCc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C20H21N.C4H5N/c21-13-12-16-6-3-5-15-9-10-18-17-7-2-1-4-14(17)8-11-19(18)20(15)16;1-2-4-5-3-1/h1-2,4,7-11,16H,3,5-6,12-13,21H2;1-3H,4H2
InChIKeyACVWBVADAIGSAR-UHFFFAOYSA-N
XLogP5.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-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 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine?
The IUPAC name of 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine (CID 174813719) is 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine.
What is the SMILES notation for 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine?
The canonical SMILES for 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine is C1=CCN=C1.NCCC1CCCc2ccc3c(ccc4ccccc43)c21.
What is the InChIKey of 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine?
The InChIKey is ACVWBVADAIGSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N.C4H5N/c21-13-12-16-6-3-5-15-9-10-18-17-7-2-1-4-14(17)8-11-19(18)20(15)16;1-2-4-5-3-1/h1-2,4,7-11,16H,3,5-6,12-13,21H2;1-3H,4H2.
What are the key properties of 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine?
2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine has a molecular weight of 342.49 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine is sourced from PubChem (CID 174813719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).