2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine

C17H20N2O — CID 65303088

IUPAC2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H20N2O/c1-18-9-11-20-10-8-13-6-7-17-15(12-13)14-4-2-3-5-16(14)19-17/h2-7,12,18-19H,8-11H2,1H3
InChIKeyRKWSIYJHYHUOMV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds6

About 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine

2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine (PubChem CID 65303088) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine
PubChem CID65303088
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H20N2O/c1-18-9-11-20-10-8-13-6-7-17-15(12-13)14-4-2-3-5-16(14)19-17/h2-7,12,18-19H,8-11H2,1H3
InChIKeyRKWSIYJHYHUOMV-UHFFFAOYSA-N
XLogP3.10
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine (CID 65303088) is 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine is CNCCOCCc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine?
The InChIKey is RKWSIYJHYHUOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-9-11-20-10-8-13-6-7-17-15(12-13)14-4-2-3-5-16(14)19-17/h2-7,12,18-19H,8-11H2,1H3.
What are the key properties of 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine?
2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine is sourced from PubChem (CID 65303088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).