1-dibenzofuran-2-yl-3-methylbutan-1-amine

C17H19NO — CID 43100935

IUPAC1-dibenzofuran-2-yl-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H19NO/c1-11(2)9-15(18)12-7-8-17-14(10-12)13-5-3-4-6-16(13)19-17/h3-8,10-11,15H,9,18H2,1-2H3
InChIKeyDPCKRDWLCCWRPA-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.63
Rot. Bonds3

About 1-dibenzofuran-2-yl-3-methylbutan-1-amine

1-dibenzofuran-2-yl-3-methylbutan-1-amine (PubChem CID 43100935) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-3-methylbutan-1-amine
PubChem CID43100935
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-dibenzofuran-2-yl-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H19NO/c1-11(2)9-15(18)12-7-8-17-14(10-12)13-5-3-4-6-16(13)19-17/h3-8,10-11,15H,9,18H2,1-2H3
InChIKeyDPCKRDWLCCWRPA-UHFFFAOYSA-N
XLogP4.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-3-methylbutan-1-amine?
The IUPAC name of 1-dibenzofuran-2-yl-3-methylbutan-1-amine (CID 43100935) is 1-dibenzofuran-2-yl-3-methylbutan-1-amine.
What is the SMILES notation for 1-dibenzofuran-2-yl-3-methylbutan-1-amine?
The canonical SMILES for 1-dibenzofuran-2-yl-3-methylbutan-1-amine is CC(C)CC(N)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-3-methylbutan-1-amine?
The InChIKey is DPCKRDWLCCWRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11(2)9-15(18)12-7-8-17-14(10-12)13-5-3-4-6-16(13)19-17/h3-8,10-11,15H,9,18H2,1-2H3.
What are the key properties of 1-dibenzofuran-2-yl-3-methylbutan-1-amine?
1-dibenzofuran-2-yl-3-methylbutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-3-methylbutan-1-amine is sourced from PubChem (CID 43100935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).