N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine

C21H20N2O — CID 4516381

IUPACN-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
SMILESCC(CCc1ccco1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H20N2O/c1-15(12-13-16-7-6-14-24-16)22-21-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)21/h2-11,14-15H,12-13H2,1H3,(H,22,23)
InChIKeyXOGPDIWAQLSUDB-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.41
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine

N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine (PubChem CID 4516381) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
PubChem CID4516381
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
SMILESCC(CCc1ccco1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H20N2O/c1-15(12-13-16-7-6-14-24-16)22-21-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)21/h2-11,14-15H,12-13H2,1H3,(H,22,23)
InChIKeyXOGPDIWAQLSUDB-UHFFFAOYSA-N
XLogP5.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.41
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

N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
CID 60715726
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
CID 62961372
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
6-[4-(furan-2-yl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 66449084

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine (CID 4516381) is N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine is CC(CCc1ccco1)Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine?
The InChIKey is XOGPDIWAQLSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15(12-13-16-7-6-14-24-16)22-21-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)21/h2-11,14-15H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine?
N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine has a molecular weight of 316.40 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine is sourced from PubChem (CID 4516381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).