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

C15H20N2O — CID 84631436

IUPAC6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
SMILESCNC1CCc2c(n(C)c3ccc(OC)cc23)C1
InChIInChI=1S/C15H20N2O/c1-16-10-4-6-12-13-9-11(18-3)5-7-14(13)17(2)15(12)8-10/h5,7,9-10,16H,4,6,8H2,1-3H3
InChIKeyJNQABFCQGCYNDB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.26
Rot. Bonds2

About 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine

6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine (PubChem CID 84631436) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
PubChem CID84631436
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
SMILESCNC1CCc2c(n(C)c3ccc(OC)cc23)C1
InChIInChI=1S/C15H20N2O/c1-16-10-4-6-12-13-9-11(18-3)5-7-14(13)17(2)15(12)8-10/h5,7,9-10,16H,4,6,8H2,1-3H3
InChIKeyJNQABFCQGCYNDB-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 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine?
The IUPAC name of 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine (CID 84631436) is 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine.
What is the SMILES notation for 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine?
The canonical SMILES for 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine is CNC1CCc2c(n(C)c3ccc(OC)cc23)C1.
What is the InChIKey of 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine?
The InChIKey is JNQABFCQGCYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-10-4-6-12-13-9-11(18-3)5-7-14(13)17(2)15(12)8-10/h5,7,9-10,16H,4,6,8H2,1-3H3.
What are the key properties of 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine?
6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-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 6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine is sourced from PubChem (CID 84631436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).