[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol

C23H22N2O2 — CID 19749170

IUPAC[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
SMILESCOc1cc2c(Nc3ccc(CO)cc3)c3ccc(C)cc3nc2cc1C
InChIInChI=1S/C23H22N2O2/c1-14-4-9-18-20(10-14)25-21-11-15(2)22(27-3)12-19(21)23(18)24-17-7-5-16(13-26)6-8-17/h4-12,26H,13H2,1-3H3,(H,24,25)
InChIKeyUPMBLAXEAJCQBF-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.25
Rot. Bonds4

About [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol

[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol (PubChem CID 19749170) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
PubChem CID19749170
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
SMILESCOc1cc2c(Nc3ccc(CO)cc3)c3ccc(C)cc3nc2cc1C
InChIInChI=1S/C23H22N2O2/c1-14-4-9-18-20(10-14)25-21-11-15(2)22(27-3)12-19(21)23(18)24-17-7-5-16(13-26)6-8-17/h4-12,26H,13H2,1-3H3,(H,24,25)
InChIKeyUPMBLAXEAJCQBF-UHFFFAOYSA-N
XLogP5.25
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749249
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749143
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
CID 19749183
2-[4-[(3-methoxy-2,7-dimethylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749407
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749369
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749280
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
The IUPAC name of [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol (CID 19749170) is [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
The canonical SMILES for [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol is COc1cc2c(Nc3ccc(CO)cc3)c3ccc(C)cc3nc2cc1C.
What is the InChIKey of [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
The InChIKey is UPMBLAXEAJCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-14-4-9-18-20(10-14)25-21-11-15(2)22(27-3)12-19(21)23(18)24-17-7-5-16(13-26)6-8-17/h4-12,26H,13H2,1-3H3,(H,24,25).
What are the key properties of [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol has a molecular weight of 358.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol is sourced from PubChem (CID 19749170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).