2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine

C16H22N2O2 — CID 96680178

IUPAC2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
SMILESCOc1cc(OC)c2c3c(n(CCN)c2c1)CCCC3
InChIInChI=1S/C16H22N2O2/c1-19-11-9-14-16(15(10-11)20-2)12-5-3-4-6-13(12)18(14)8-7-17/h9-10H,3-8,17H2,1-2H3
InChIKeyRNNLOUKWJAXXHB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds4

About 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine

2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine (PubChem CID 96680178) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine.

Molecular Properties

Compound Name2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
PubChem CID96680178
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
SMILESCOc1cc(OC)c2c3c(n(CCN)c2c1)CCCC3
InChIInChI=1S/C16H22N2O2/c1-19-11-9-14-16(15(10-11)20-2)12-5-3-4-6-13(12)18(14)8-7-17/h9-10H,3-8,17H2,1-2H3
InChIKeyRNNLOUKWJAXXHB-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine?
The IUPAC name of 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine (CID 96680178) is 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine.
What is the SMILES notation for 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine?
The canonical SMILES for 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine is COc1cc(OC)c2c3c(n(CCN)c2c1)CCCC3.
What is the InChIKey of 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine?
The InChIKey is RNNLOUKWJAXXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-11-9-14-16(15(10-11)20-2)12-5-3-4-6-13(12)18(14)8-7-17/h9-10H,3-8,17H2,1-2H3.
What are the key properties of 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine?
2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine is sourced from PubChem (CID 96680178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).