7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

C15H20N2O — CID 84631533

IUPAC7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCNC1CCc2c(c3ccc(OC)cc3n2C)C1
InChIInChI=1S/C15H20N2O/c1-16-10-4-7-14-13(8-10)12-6-5-11(18-3)9-15(12)17(14)2/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyOUBLFLVCOOJHIE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.26
Rot. Bonds2

About 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (PubChem CID 84631533) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound Name7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
PubChem CID84631533
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCNC1CCc2c(c3ccc(OC)cc3n2C)C1
InChIInChI=1S/C15H20N2O/c1-16-10-4-7-14-13(8-10)12-6-5-11(18-3)9-15(12)17(14)2/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyOUBLFLVCOOJHIE-UHFFFAOYSA-N
XLogP2.26
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The IUPAC name of 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (CID 84631533) is 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.
What is the SMILES notation for 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The canonical SMILES for 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is CNC1CCc2c(c3ccc(OC)cc3n2C)C1.
What is the InChIKey of 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The InChIKey is OUBLFLVCOOJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-10-4-7-14-13(8-10)12-6-5-11(18-3)9-15(12)17(14)2/h5-6,9-10,16H,4,7-8H2,1-3H3.
What are the key properties of 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 84631533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).