N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride

C21H19ClN2O — CID 44656379

IUPACN-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride
SMILESCCOc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1.[Cl-]
InChIInChI=1S/C21H18N2O.ClH/c1-2-24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21;/h3-14H,2H2,1H3,(H,22,23);1H
InChIKeyOMULIADPFGXXQF-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.95
Rot. Bonds4

About N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride

N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride (PubChem CID 44656379) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride
PubChem CID44656379
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC NameN-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride
SMILESCCOc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1.[Cl-]
InChIInChI=1S/C21H18N2O.ClH/c1-2-24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21;/h3-14H,2H2,1H3,(H,22,23);1H
InChIKeyOMULIADPFGXXQF-UHFFFAOYSA-N
XLogP1.95
TPSA35.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656
N-(4-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-amine chloride
CID 44659073
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424
ethoxybenzene chloride
CID 21193593
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 2952997
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride?
The IUPAC name of N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride (CID 44656379) is N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride.
What is the SMILES notation for N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride?
The canonical SMILES for N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride is CCOc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1.[Cl-].
What is the InChIKey of N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride?
The InChIKey is OMULIADPFGXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O.ClH/c1-2-24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21;/h3-14H,2H2,1H3,(H,22,23);1H.
What are the key properties of N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride?
N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride has a molecular weight of 350.85 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)acridin-10-ium-9-amine chloride is sourced from PubChem (CID 44656379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).