N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine

C22H21N2O2+ — CID 164609477

IUPACN-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine
SMILESCOc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)c(OC)c1
InChIInChI=1S/C22H20N2O2/c1-24-19-10-6-4-8-16(19)22(17-9-5-7-11-20(17)24)23-18-13-12-15(25-2)14-21(18)26-3/h4-14H,1-3H3/p+1
InChIKeyCIXDPWWHBOWBCF-UHFFFAOYSA-O
MW345.42 g/mol
LogP4.58
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine

N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine (PubChem CID 164609477) has the molecular formula C22H21N2O2+ and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine
PubChem CID164609477
Molecular FormulaC22H21N2O2+
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC NameN-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine
SMILESCOc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)c(OC)c1
InChIInChI=1S/C22H20N2O2/c1-24-19-10-6-4-8-16(19)22(17-9-5-7-11-20(17)24)23-18-13-12-15(25-2)14-21(18)26-3/h4-14H,1-3H3/p+1
InChIKeyCIXDPWWHBOWBCF-UHFFFAOYSA-O
XLogP4.58
TPSA34.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
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CID 155289999
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CID 24841243
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
4-methoxy-1,2-dimethylquinolin-1-ium
CID 3299774
2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62532309
N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine
CID 5034037
2-(2,4-dimethoxyanilino)-3-methylbenzenecarbothioamide
CID 107107680
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
2-chloro-3-(2,4-dimethoxyanilino)naphthalene-1,4-dione
CID 129009526

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine (CID 164609477) is N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine is COc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine?
The InChIKey is CIXDPWWHBOWBCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20N2O2/c1-24-19-10-6-4-8-16(19)22(17-9-5-7-11-20(17)24)23-18-13-12-15(25-2)14-21(18)26-3/h4-14H,1-3H3/p+1.
What are the key properties of N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine?
N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine has a molecular weight of 345.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine is sourced from PubChem (CID 164609477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).