2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol

C24H29NO2 — CID 90669667

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol
SMILESOCCN(CC(O)c1cc2ccccc2c2ccccc12)C1CCCCC1
InChIInChI=1S/C24H29NO2/c26-15-14-25(19-9-2-1-3-10-19)17-24(27)23-16-18-8-4-5-11-20(18)21-12-6-7-13-22(21)23/h4-8,11-13,16,19,24,26-27H,1-3,9-10,14-15,17H2
InChIKeyLVHPRSGUFSGBTF-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.65
Rot. Bonds6

About 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol

2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol (PubChem CID 90669667) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol
PubChem CID90669667
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol
SMILESOCCN(CC(O)c1cc2ccccc2c2ccccc12)C1CCCCC1
InChIInChI=1S/C24H29NO2/c26-15-14-25(19-9-2-1-3-10-19)17-24(27)23-16-18-8-4-5-11-20(18)21-12-6-7-13-22(21)23/h4-8,11-13,16,19,24,26-27H,1-3,9-10,14-15,17H2
InChIKeyLVHPRSGUFSGBTF-UHFFFAOYSA-N
XLogP4.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol (CID 90669667) is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol is OCCN(CC(O)c1cc2ccccc2c2ccccc12)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol?
The InChIKey is LVHPRSGUFSGBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-15-14-25(19-9-2-1-3-10-19)17-24(27)23-16-18-8-4-5-11-20(18)21-12-6-7-13-22(21)23/h4-8,11-13,16,19,24,26-27H,1-3,9-10,14-15,17H2.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol?
2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol has a molecular weight of 363.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-phenanthren-9-ylethanol is sourced from PubChem (CID 90669667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).