ethane;methanamine;2-phenyldibenzo-p-dioxin

C21H23NO2 — CID 144875802

IUPACethane;methanamine;2-phenyldibenzo-p-dioxin
SMILESCC.CN.c1ccc(-c2ccc3c(c2)Oc2ccccc2O3)cc1
InChIInChI=1S/C18H12O2.C2H6.CH5N/c1-2-6-13(7-3-1)14-10-11-17-18(12-14)20-16-9-5-4-8-15(16)19-17;2*1-2/h1-12H;1-2H3;2H2,1H3
InChIKeyCJMVWXRLFSCNPG-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.85
Rot. Bonds1

About ethane;methanamine;2-phenyldibenzo-p-dioxin

ethane;methanamine;2-phenyldibenzo-p-dioxin (PubChem CID 144875802) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethane;methanamine;2-phenyldibenzo-p-dioxin.

Molecular Properties

Compound Nameethane;methanamine;2-phenyldibenzo-p-dioxin
PubChem CID144875802
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Nameethane;methanamine;2-phenyldibenzo-p-dioxin
SMILESCC.CN.c1ccc(-c2ccc3c(c2)Oc2ccccc2O3)cc1
InChIInChI=1S/C18H12O2.C2H6.CH5N/c1-2-6-13(7-3-1)14-10-11-17-18(12-14)20-16-9-5-4-8-15(16)19-17;2*1-2/h1-12H;1-2H3;2H2,1H3
InChIKeyCJMVWXRLFSCNPG-UHFFFAOYSA-N
XLogP5.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methanamine;2-phenyldibenzo-p-dioxin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)dibenzo-p-dioxin
CID 126629841
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146666293
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine
CID 126629758
6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 10810089
bis(1,3-diphenylbenzene);ethane
CID 144938975
dibenzo-p-dioxin-2-amine
CID 1070744
3-phenyl-9H-xanthen-9-ol
CID 15685341

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-phenyldibenzo-p-dioxin?
The IUPAC name of ethane;methanamine;2-phenyldibenzo-p-dioxin (CID 144875802) is ethane;methanamine;2-phenyldibenzo-p-dioxin.
What is the SMILES notation for ethane;methanamine;2-phenyldibenzo-p-dioxin?
The canonical SMILES for ethane;methanamine;2-phenyldibenzo-p-dioxin is CC.CN.c1ccc(-c2ccc3c(c2)Oc2ccccc2O3)cc1.
What is the InChIKey of ethane;methanamine;2-phenyldibenzo-p-dioxin?
The InChIKey is CJMVWXRLFSCNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2.C2H6.CH5N/c1-2-6-13(7-3-1)14-10-11-17-18(12-14)20-16-9-5-4-8-15(16)19-17;2*1-2/h1-12H;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-phenyldibenzo-p-dioxin?
ethane;methanamine;2-phenyldibenzo-p-dioxin has a molecular weight of 321.42 g/mol, XLogP of 5.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-phenyldibenzo-p-dioxin is sourced from PubChem (CID 144875802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).