N-[4-(oxan-4-yl)phenyl]acridin-9-amine

C24H22N2O — CID 144939675

IUPACN-[4-(oxan-4-yl)phenyl]acridin-9-amine
SMILESc1ccc2c(Nc3ccc(C4CCOCC4)cc3)c3ccccc3nc2c1
InChIInChI=1S/C24H22N2O/c1-3-7-22-20(5-1)24(21-6-2-4-8-23(21)26-22)25-19-11-9-17(10-12-19)18-13-15-27-16-14-18/h1-12,18H,13-16H2,(H,25,26)
InChIKeyLDACAASPWURANO-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.03
Rot. Bonds3

About N-[4-(oxan-4-yl)phenyl]acridin-9-amine

N-[4-(oxan-4-yl)phenyl]acridin-9-amine (PubChem CID 144939675) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-(oxan-4-yl)phenyl]acridin-9-amine.

Molecular Properties

Compound NameN-[4-(oxan-4-yl)phenyl]acridin-9-amine
PubChem CID144939675
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-[4-(oxan-4-yl)phenyl]acridin-9-amine
SMILESc1ccc2c(Nc3ccc(C4CCOCC4)cc3)c3ccccc3nc2c1
InChIInChI=1S/C24H22N2O/c1-3-7-22-20(5-1)24(21-6-2-4-8-23(21)26-22)25-19-11-9-17(10-12-19)18-13-15-27-16-14-18/h1-12,18H,13-16H2,(H,25,26)
InChIKeyLDACAASPWURANO-UHFFFAOYSA-N
XLogP6.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.03
H-Bond Donors ≤ 51
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

4-(acridin-9-ylamino)benzaldehyde
CID 125465000
1-[4-(acridin-9-ylamino)phenyl]-3-phenylurea;hydron;chloride
CID 50987018
sodium;9-chloroacridine;bis(N-(4-chlorophenyl)acridin-9-amine);hydroxide;hydrochloride
CID 160972351
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110435252
N-(4-piperidin-4-ylphenyl)quinolin-4-amine
CID 171544473
4-(4-methylphenyl)oxane
CID 46222621
(3R)-3-phenyloxolane
CID 92859476
4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
CID 10616345
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 72735103
N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
CID 2790059

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-yl)phenyl]acridin-9-amine?
The IUPAC name of N-[4-(oxan-4-yl)phenyl]acridin-9-amine (CID 144939675) is N-[4-(oxan-4-yl)phenyl]acridin-9-amine.
What is the SMILES notation for N-[4-(oxan-4-yl)phenyl]acridin-9-amine?
The canonical SMILES for N-[4-(oxan-4-yl)phenyl]acridin-9-amine is c1ccc2c(Nc3ccc(C4CCOCC4)cc3)c3ccccc3nc2c1.
What is the InChIKey of N-[4-(oxan-4-yl)phenyl]acridin-9-amine?
The InChIKey is LDACAASPWURANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-3-7-22-20(5-1)24(21-6-2-4-8-23(21)26-22)25-19-11-9-17(10-12-19)18-13-15-27-16-14-18/h1-12,18H,13-16H2,(H,25,26).
What are the key properties of N-[4-(oxan-4-yl)phenyl]acridin-9-amine?
N-[4-(oxan-4-yl)phenyl]acridin-9-amine has a molecular weight of 354.45 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-yl)phenyl]acridin-9-amine is sourced from PubChem (CID 144939675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).