3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol

C24H25NO2 — CID 56988040

IUPAC3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol
SMILESCOC(NCc1cc2c3ccccc3ccc2c2ccccc12)C(C)CO
InChIInChI=1S/C24H25NO2/c1-16(15-26)24(27-2)25-14-18-13-23-19-8-4-3-7-17(19)11-12-22(23)21-10-6-5-9-20(18)21/h3-13,16,24-26H,14-15H2,1-2H3
InChIKeyODLBRFRTNCZSJU-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.84
Rot. Bonds6

About 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol

3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol (PubChem CID 56988040) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol
PubChem CID56988040
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol
SMILESCOC(NCc1cc2c3ccccc3ccc2c2ccccc12)C(C)CO
InChIInChI=1S/C24H25NO2/c1-16(15-26)24(27-2)25-14-18-13-23-19-8-4-3-7-17(19)11-12-22(23)21-10-6-5-9-20(18)21/h3-13,16,24-26H,14-15H2,1-2H3
InChIKeyODLBRFRTNCZSJU-UHFFFAOYSA-N
XLogP4.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol 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 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol (CID 56988040) is 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol is COC(NCc1cc2c3ccccc3ccc2c2ccccc12)C(C)CO.
What is the InChIKey of 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol?
The InChIKey is ODLBRFRTNCZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-16(15-26)24(27-2)25-14-18-13-23-19-8-4-3-7-17(19)11-12-22(23)21-10-6-5-9-20(18)21/h3-13,16,24-26H,14-15H2,1-2H3.
What are the key properties of 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol?
3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol has a molecular weight of 359.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chrysen-6-ylmethylamino)-3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 56988040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).