N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine

C13H17NO — CID 15107536

IUPACN-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
SMILESCNC12CCCCC1Oc1ccccc12
InChIInChI=1S/C13H17NO/c1-14-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)13/h2-3,6-7,12,14H,4-5,8-9H2,1H3
InChIKeyMXWNVBPKMMUCMN-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.44
Rot. Bonds1

About N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine

N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine (PubChem CID 15107536) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine.

Molecular Properties

Compound NameN-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
PubChem CID15107536
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
SMILESCNC12CCCCC1Oc1ccccc12
InChIInChI=1S/C13H17NO/c1-14-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)13/h2-3,6-7,12,14H,4-5,8-9H2,1H3
InChIKeyMXWNVBPKMMUCMN-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
The IUPAC name of N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine (CID 15107536) is N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine.
What is the SMILES notation for N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
The canonical SMILES for N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine is CNC12CCCCC1Oc1ccccc12.
What is the InChIKey of N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
The InChIKey is MXWNVBPKMMUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)13/h2-3,6-7,12,14H,4-5,8-9H2,1H3.
What are the key properties of N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine has a molecular weight of 203.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine is sourced from PubChem (CID 15107536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).