2-(acridin-9-ylamino)-3-phenylpropan-1-ol

C22H20N2O — CID 3747276

IUPAC2-(acridin-9-ylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H20N2O/c25-15-17(14-16-8-2-1-3-9-16)23-22-18-10-4-6-12-20(18)24-21-13-7-5-11-19(21)22/h1-13,17,25H,14-15H2,(H,23,24)
InChIKeyYQERUHCZCMOPQN-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.40
Rot. Bonds5

About 2-(acridin-9-ylamino)-3-phenylpropan-1-ol

2-(acridin-9-ylamino)-3-phenylpropan-1-ol (PubChem CID 3747276) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(acridin-9-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(acridin-9-ylamino)-3-phenylpropan-1-ol
PubChem CID3747276
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-(acridin-9-ylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H20N2O/c25-15-17(14-16-8-2-1-3-9-16)23-22-18-10-4-6-12-20(18)24-21-13-7-5-11-19(21)22/h1-13,17,25H,14-15H2,(H,23,24)
InChIKeyYQERUHCZCMOPQN-UHFFFAOYSA-N
XLogP4.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(acridin-9-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(acridin-9-ylamino)-3-phenylpropan-1-ol (CID 3747276) is 2-(acridin-9-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(acridin-9-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(acridin-9-ylamino)-3-phenylpropan-1-ol is OCC(Cc1ccccc1)Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of 2-(acridin-9-ylamino)-3-phenylpropan-1-ol?
The InChIKey is YQERUHCZCMOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-15-17(14-16-8-2-1-3-9-16)23-22-18-10-4-6-12-20(18)24-21-13-7-5-11-19(21)22/h1-13,17,25H,14-15H2,(H,23,24).
What are the key properties of 2-(acridin-9-ylamino)-3-phenylpropan-1-ol?
2-(acridin-9-ylamino)-3-phenylpropan-1-ol has a molecular weight of 328.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acridin-9-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 3747276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).