N-(2-methylbutyl)dibenzofuran-4-amine

C17H19NO — CID 167309390

IUPACN-(2-methylbutyl)dibenzofuran-4-amine
SMILESCCC(C)CNc1cccc2c1oc1ccccc12
InChIInChI=1S/C17H19NO/c1-3-12(2)11-18-15-9-6-8-14-13-7-4-5-10-16(13)19-17(14)15/h4-10,12,18H,3,11H2,1-2H3
InChIKeyFOFCHEYWBZNPNT-UHFFFAOYSA-N
MW253.35 g/mol
LogP5.04
Rot. Bonds4

About N-(2-methylbutyl)dibenzofuran-4-amine

N-(2-methylbutyl)dibenzofuran-4-amine (PubChem CID 167309390) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-methylbutyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)dibenzofuran-4-amine
PubChem CID167309390
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-(2-methylbutyl)dibenzofuran-4-amine
SMILESCCC(C)CNc1cccc2c1oc1ccccc12
InChIInChI=1S/C17H19NO/c1-3-12(2)11-18-15-9-6-8-14-13-7-4-5-10-16(13)19-17(14)15/h4-10,12,18H,3,11H2,1-2H3
InChIKeyFOFCHEYWBZNPNT-UHFFFAOYSA-N
XLogP5.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.35
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)dibenzofuran-4-amine?
The IUPAC name of N-(2-methylbutyl)dibenzofuran-4-amine (CID 167309390) is N-(2-methylbutyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(2-methylbutyl)dibenzofuran-4-amine?
The canonical SMILES for N-(2-methylbutyl)dibenzofuran-4-amine is CCC(C)CNc1cccc2c1oc1ccccc12.
What is the InChIKey of N-(2-methylbutyl)dibenzofuran-4-amine?
The InChIKey is FOFCHEYWBZNPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-12(2)11-18-15-9-6-8-14-13-7-4-5-10-16(13)19-17(14)15/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of N-(2-methylbutyl)dibenzofuran-4-amine?
N-(2-methylbutyl)dibenzofuran-4-amine has a molecular weight of 253.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)dibenzofuran-4-amine is sourced from PubChem (CID 167309390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).