N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine

C18H23NO — CID 83049499

IUPACN,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine
SMILESCCCNC1c2ccc3ccccc3c2OC1CCC
InChIInChI=1S/C18H23NO/c1-3-7-16-17(19-12-4-2)15-11-10-13-8-5-6-9-14(13)18(15)20-16/h5-6,8-11,16-17,19H,3-4,7,12H2,1-2H3
InChIKeyVWYYTDMABBEPPK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds5

About N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine

N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine (PubChem CID 83049499) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine.

Molecular Properties

Compound NameN,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine
PubChem CID83049499
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine
SMILESCCCNC1c2ccc3ccccc3c2OC1CCC
InChIInChI=1S/C18H23NO/c1-3-7-16-17(19-12-4-2)15-11-10-13-8-5-6-9-14(13)18(15)20-16/h5-6,8-11,16-17,19H,3-4,7,12H2,1-2H3
InChIKeyVWYYTDMABBEPPK-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine?
The IUPAC name of N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine (CID 83049499) is N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine.
What is the SMILES notation for N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine?
The canonical SMILES for N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine is CCCNC1c2ccc3ccccc3c2OC1CCC.
What is the InChIKey of N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine?
The InChIKey is VWYYTDMABBEPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-7-16-17(19-12-4-2)15-11-10-13-8-5-6-9-14(13)18(15)20-16/h5-6,8-11,16-17,19H,3-4,7,12H2,1-2H3.
What are the key properties of N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine?
N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine has a molecular weight of 269.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine is sourced from PubChem (CID 83049499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).