1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione

C25H24N2O2 — CID 151870924

IUPAC1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione
SMILESCCc1cc(CN)cc(CC)c1Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H24N2O2/c1-3-16-12-15(14-26)13-17(4-2)23(16)27-21-11-7-10-20-22(21)25(29)19-9-6-5-8-18(19)24(20)28/h5-13,27H,3-4,14,26H2,1-2H3
InChIKeySMQYNLBYULRSFI-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.79
Rot. Bonds5

About 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione

1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione (PubChem CID 151870924) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione
PubChem CID151870924
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione
SMILESCCc1cc(CN)cc(CC)c1Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H24N2O2/c1-3-16-12-15(14-26)13-17(4-2)23(16)27-21-11-7-10-20-22(21)25(29)19-9-6-5-8-18(19)24(20)28/h5-13,27H,3-4,14,26H2,1-2H3
InChIKeySMQYNLBYULRSFI-UHFFFAOYSA-N
XLogP4.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-diethyl-4-iodoanilino)-4-(2,6-diethyl-4-methylanilino)anthracene-9,10-dione
CID 142521055
1-(1-aminoethylamino)anthracene-9,10-dione
CID 150877100
1,3-diethylanthracene-9,10-dione
CID 22321054
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
2-[[5-[2-(hydrazinecarbonyl)anilino]-9,10-dioxoanthracen-1-yl]amino]benzohydrazide
CID 70829188
1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride
CID 3076422
1-phenylsulfanyl-5-(2,4,6-trimethylanilino)anthracene-9,10-dione
CID 22899487
N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide
CID 59414687
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
6-amino-1-(methylamino)anthracene-9,10-dione
CID 154343227

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
The IUPAC name of 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione (CID 151870924) is 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione.
What is the SMILES notation for 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
The canonical SMILES for 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione is CCc1cc(CN)cc(CC)c1Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
The InChIKey is SMQYNLBYULRSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-16-12-15(14-26)13-17(4-2)23(16)27-21-11-7-10-20-22(21)25(29)19-9-6-5-8-18(19)24(20)28/h5-13,27H,3-4,14,26H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione has a molecular weight of 384.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione is sourced from PubChem (CID 151870924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).