1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine

C15H20N2O — CID 83843557

IUPAC1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
SMILESCNCC1CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C15H20N2O/c1-16-9-10-3-5-14-12(7-10)13-8-11(18-2)4-6-15(13)17-14/h4,6,8,10,16-17H,3,5,7,9H2,1-2H3
InChIKeyCPRBRBMUMATKSC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.50
Rot. Bonds3

About 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine

1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine (PubChem CID 83843557) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
PubChem CID83843557
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
SMILESCNCC1CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C15H20N2O/c1-16-9-10-3-5-14-12(7-10)13-8-11(18-2)4-6-15(13)17-14/h4,6,8,10,16-17H,3,5,7,9H2,1-2H3
InChIKeyCPRBRBMUMATKSC-UHFFFAOYSA-N
XLogP2.50
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine (CID 83843557) is 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine is CNCC1CCc2[nH]c3ccc(OC)cc3c2C1.
What is the InChIKey of 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
The InChIKey is CPRBRBMUMATKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-9-10-3-5-14-12(7-10)13-8-11(18-2)4-6-15(13)17-14/h4,6,8,10,16-17H,3,5,7,9H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83843557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).