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

C22H20N2O — CID 19749143

IUPAC[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
SMILESCc1ccc2c(Nc3cccc(CO)c3)c3ccc(C)cc3nc2c1
InChIInChI=1S/C22H20N2O/c1-14-6-8-18-20(10-14)24-21-11-15(2)7-9-19(21)22(18)23-17-5-3-4-16(12-17)13-25/h3-12,25H,13H2,1-2H3,(H,23,24)
InChIKeyPUHLCFDLCPPCRC-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.24
Rot. Bonds3

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

[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol (PubChem CID 19749143) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
PubChem CID19749143
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
SMILESCc1ccc2c(Nc3cccc(CO)c3)c3ccc(C)cc3nc2c1
InChIInChI=1S/C22H20N2O/c1-14-6-8-18-20(10-14)24-21-11-15(2)7-9-19(21)22(18)23-17-5-3-4-16(12-17)13-25/h3-12,25H,13H2,1-2H3,(H,23,24)
InChIKeyPUHLCFDLCPPCRC-UHFFFAOYSA-N
XLogP5.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.24
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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Related Compounds

[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
CID 19749183
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749170
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 71163222
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
CID 54604691

Frequently Asked Questions

What is the IUPAC name of [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol (CID 19749143) is [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol is Cc1ccc2c(Nc3cccc(CO)c3)c3ccc(C)cc3nc2c1.
What is the InChIKey of [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
The InChIKey is PUHLCFDLCPPCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-6-8-18-20(10-14)24-21-11-15(2)7-9-19(21)22(18)23-17-5-3-4-16(12-17)13-25/h3-12,25H,13H2,1-2H3,(H,23,24).
What are the key properties of [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol?
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol has a molecular weight of 328.42 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol is sourced from PubChem (CID 19749143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).