3-methyldibenzofuran-1,4-diamine

C13H12N2O — CID 68822096

IUPAC3-methyldibenzofuran-1,4-diamine
SMILESCc1cc(N)c2c(oc3ccccc32)c1N
InChIInChI=1S/C13H12N2O/c1-7-6-9(14)11-8-4-2-3-5-10(8)16-13(11)12(7)15/h2-6H,14-15H2,1H3
InChIKeyBWZSIJHGEIXMAV-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.06
Rot. Bonds

About 3-methyldibenzofuran-1,4-diamine

3-methyldibenzofuran-1,4-diamine (PubChem CID 68822096) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-methyldibenzofuran-1,4-diamine.

Molecular Properties

Compound Name3-methyldibenzofuran-1,4-diamine
PubChem CID68822096
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-methyldibenzofuran-1,4-diamine
SMILESCc1cc(N)c2c(oc3ccccc32)c1N
InChIInChI=1S/C13H12N2O/c1-7-6-9(14)11-8-4-2-3-5-10(8)16-13(11)12(7)15/h2-6H,14-15H2,1H3
InChIKeyBWZSIJHGEIXMAV-UHFFFAOYSA-N
XLogP3.06
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxydibenzofuran-1,4-diamine
CID 68825275
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
CID 68822637
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
3-[(4-amino-3-methyldibenzofuran-1-yl)-methylamino]propane-1,2-diol
CID 68826676
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
4-phenyldibenzofuran-1-amine
CID 175743038
2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol
CID 86075075
dibenzofuran-1,2-diamine
CID 21425844
CID 142290538
CID 142290538
2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095
2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
CID 58401033

Frequently Asked Questions

What is the IUPAC name of 3-methyldibenzofuran-1,4-diamine?
The IUPAC name of 3-methyldibenzofuran-1,4-diamine (CID 68822096) is 3-methyldibenzofuran-1,4-diamine.
What is the SMILES notation for 3-methyldibenzofuran-1,4-diamine?
The canonical SMILES for 3-methyldibenzofuran-1,4-diamine is Cc1cc(N)c2c(oc3ccccc32)c1N.
What is the InChIKey of 3-methyldibenzofuran-1,4-diamine?
The InChIKey is BWZSIJHGEIXMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-7-6-9(14)11-8-4-2-3-5-10(8)16-13(11)12(7)15/h2-6H,14-15H2,1H3.
What are the key properties of 3-methyldibenzofuran-1,4-diamine?
3-methyldibenzofuran-1,4-diamine has a molecular weight of 212.25 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldibenzofuran-1,4-diamine is sourced from PubChem (CID 68822096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).