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

C20H27NO — CID 144650095

IUPAC2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
SMILESCC.CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1N
InChIInChI=1S/C18H21NO.C2H6/c1-10(2)13-9-14(11(3)4)18-16(17(13)19)12-7-5-6-8-15(12)20-18;1-2/h5-11H,19H2,1-4H3;1-2H3
InChIKeyHRSRNYUTXJTUBP-UHFFFAOYSA-N
MW297.44 g/mol
LogP6.44
Rot. Bonds2

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

2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane (PubChem CID 144650095) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane.

Molecular Properties

Compound Name2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
PubChem CID144650095
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
SMILESCC.CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1N
InChIInChI=1S/C18H21NO.C2H6/c1-10(2)13-9-14(11(3)4)18-16(17(13)19)12-7-5-6-8-15(12)20-18;1-2/h5-11H,19H2,1-4H3;1-2H3
InChIKeyHRSRNYUTXJTUBP-UHFFFAOYSA-N
XLogP6.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
ethane;1-propan-2-yldibenzofuran
CID 142343182
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
3-methyldibenzofuran-1,4-diamine
CID 68822096
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
CID 58401033
5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium
CID 167354763
4-ethyl-3-methyl-2-propan-2-yldibenzofuran
CID 144782623
4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane
CID 144782622
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

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane?
The IUPAC name of 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane (CID 144650095) is 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane.
What is the SMILES notation for 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane?
The canonical SMILES for 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane is CC.CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1N.
What is the InChIKey of 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane?
The InChIKey is HRSRNYUTXJTUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C2H6/c1-10(2)13-9-14(11(3)4)18-16(17(13)19)12-7-5-6-8-15(12)20-18;1-2/h5-11H,19H2,1-4H3;1-2H3.
What are the key properties of 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane?
2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane has a molecular weight of 297.44 g/mol, XLogP of 6.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane is sourced from PubChem (CID 144650095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).