6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine

C15H20N2O — CID 83488140

IUPAC6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine
SMILESCCOc1ccc2c(c1)c1c(n2C)CC(N)CC1
InChIInChI=1S/C15H20N2O/c1-3-18-11-5-7-14-13(9-11)12-6-4-10(16)8-15(12)17(14)2/h5,7,9-10H,3-4,6,8,16H2,1-2H3
InChIKeyHENUJZIRCRHIHF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.39
Rot. Bonds2

About 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine

6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine (PubChem CID 83488140) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine
PubChem CID83488140
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine
SMILESCCOc1ccc2c(c1)c1c(n2C)CC(N)CC1
InChIInChI=1S/C15H20N2O/c1-3-18-11-5-7-14-13(9-11)12-6-4-10(16)8-15(12)17(14)2/h5,7,9-10H,3-4,6,8,16H2,1-2H3
InChIKeyHENUJZIRCRHIHF-UHFFFAOYSA-N
XLogP2.39
TPSA40.18 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 ≤ 52.39
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-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine?
The IUPAC name of 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine (CID 83488140) is 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine.
What is the SMILES notation for 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine?
The canonical SMILES for 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine is CCOc1ccc2c(c1)c1c(n2C)CC(N)CC1.
What is the InChIKey of 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine?
The InChIKey is HENUJZIRCRHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-18-11-5-7-14-13(9-11)12-6-4-10(16)8-15(12)17(14)2/h5,7,9-10H,3-4,6,8,16H2,1-2H3.
What are the key properties of 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine?
6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine is sourced from PubChem (CID 83488140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).