N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine

C18H19NO — CID 163475445

IUPACN-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine
SMILESC1=CC2=C(CC1)C1CC=CC(Nc3ccccc3)C1O2
InChIInChI=1S/C18H19NO/c1-2-7-13(8-3-1)19-16-11-6-10-15-14-9-4-5-12-17(14)20-18(15)16/h1-3,5-8,11-12,15-16,18-19H,4,9-10H2
InChIKeyBZZISZMPILDADN-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.05
Rot. Bonds2

About N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine

N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine (PubChem CID 163475445) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine
PubChem CID163475445
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine
SMILESC1=CC2=C(CC1)C1CC=CC(Nc3ccccc3)C1O2
InChIInChI=1S/C18H19NO/c1-2-7-13(8-3-1)19-16-11-6-10-15-14-9-4-5-12-17(14)20-18(15)16/h1-3,5-8,11-12,15-16,18-19H,4,9-10H2
InChIKeyBZZISZMPILDADN-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine?
The IUPAC name of N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine (CID 163475445) is N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine?
The canonical SMILES for N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine is C1=CC2=C(CC1)C1CC=CC(Nc3ccccc3)C1O2.
What is the InChIKey of N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine?
The InChIKey is BZZISZMPILDADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-7-13(8-3-1)19-16-11-6-10-15-14-9-4-5-12-17(14)20-18(15)16/h1-3,5-8,11-12,15-16,18-19H,4,9-10H2.
What are the key properties of N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine?
N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine has a molecular weight of 265.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,4,4a,8,9,9b-hexahydrodibenzofuran-4-amine is sourced from PubChem (CID 163475445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).