1,3-di(propan-2-yl)dibenzofuran-4-amine

C18H21NO — CID 58400957

IUPAC1,3-di(propan-2-yl)dibenzofuran-4-amine
SMILESCC(C)c1cc(C(C)C)c2c(oc3ccccc32)c1N
InChIInChI=1S/C18H21NO/c1-10(2)13-9-14(11(3)4)17(19)18-16(13)12-7-5-6-8-15(12)20-18/h5-11H,19H2,1-4H3
InChIKeyJCAYOHHCUNRBTL-UHFFFAOYSA-N
MW267.37 g/mol
LogP5.41
Rot. Bonds2

About 1,3-di(propan-2-yl)dibenzofuran-4-amine

1,3-di(propan-2-yl)dibenzofuran-4-amine (PubChem CID 58400957) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)dibenzofuran-4-amine
PubChem CID58400957
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1,3-di(propan-2-yl)dibenzofuran-4-amine
SMILESCC(C)c1cc(C(C)C)c2c(oc3ccccc32)c1N
InChIInChI=1S/C18H21NO/c1-10(2)13-9-14(11(3)4)17(19)18-16(13)12-7-5-6-8-15(12)20-18/h5-11H,19H2,1-4H3
InChIKeyJCAYOHHCUNRBTL-UHFFFAOYSA-N
XLogP5.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.37
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-di(propan-2-yl)dibenzofuran-4-amine 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-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
3-methyldibenzofuran-1,4-diamine
CID 68822096
ethane;1-propan-2-yldibenzofuran
CID 142343182
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
3-methoxydibenzofuran-1,4-diamine
CID 68825275
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
4-ethyl-3-methyl-2-propan-2-yldibenzofuran
CID 144782623
4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane
CID 144782622
5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium
CID 167354763
2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
CID 58401033
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

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)dibenzofuran-4-amine?
The IUPAC name of 1,3-di(propan-2-yl)dibenzofuran-4-amine (CID 58400957) is 1,3-di(propan-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for 1,3-di(propan-2-yl)dibenzofuran-4-amine?
The canonical SMILES for 1,3-di(propan-2-yl)dibenzofuran-4-amine is CC(C)c1cc(C(C)C)c2c(oc3ccccc32)c1N.
What is the InChIKey of 1,3-di(propan-2-yl)dibenzofuran-4-amine?
The InChIKey is JCAYOHHCUNRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-10(2)13-9-14(11(3)4)17(19)18-16(13)12-7-5-6-8-15(12)20-18/h5-11H,19H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)dibenzofuran-4-amine?
1,3-di(propan-2-yl)dibenzofuran-4-amine has a molecular weight of 267.37 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 58400957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).