(9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine

C13H15NO — CID 146591389

IUPAC(9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine
SMILESCC1CC=CC2=C1OC1=CC(N)=CC[C@H]12
InChIInChI=1S/C13H15NO/c1-8-3-2-4-11-10-6-5-9(14)7-12(10)15-13(8)11/h2,4-5,7-8,10H,3,6,14H2,1H3/t8?,10-/m0/s1
InChIKeyINNVLBNGZIWAFF-HTLJXXAVSA-N
MW201.27 g/mol
LogP2.61
Rot. Bonds

About (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine

(9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine (PubChem CID 146591389) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine.

Molecular Properties

Compound Name(9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine
PubChem CID146591389
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine
SMILESCC1CC=CC2=C1OC1=CC(N)=CC[C@H]12
InChIInChI=1S/C13H15NO/c1-8-3-2-4-11-10-6-5-9(14)7-12(10)15-13(8)11/h2,4-5,7-8,10H,3,6,14H2,1H3/t8?,10-/m0/s1
InChIKeyINNVLBNGZIWAFF-HTLJXXAVSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine?
The IUPAC name of (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine (CID 146591389) is (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine.
What is the SMILES notation for (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine?
The canonical SMILES for (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine is CC1CC=CC2=C1OC1=CC(N)=CC[C@H]12.
What is the InChIKey of (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine?
The InChIKey is INNVLBNGZIWAFF-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H15NO/c1-8-3-2-4-11-10-6-5-9(14)7-12(10)15-13(8)11/h2,4-5,7-8,10H,3,6,14H2,1H3/t8?,10-/m0/s1.
What are the key properties of (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine?
(9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine has a molecular weight of 201.27 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9bS)-6-methyl-1,6,7,9b-tetrahydrodibenzofuran-3-amine is sourced from PubChem (CID 146591389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).