N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine

C18H21NO2 — CID 10517096

IUPACN-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine
SMILESCCN(O)CCc1ccc2c(c1)Cc1ccccc1CO2
InChIInChI=1S/C18H21NO2/c1-2-19(20)10-9-14-7-8-18-17(11-14)12-15-5-3-4-6-16(15)13-21-18/h3-8,11,20H,2,9-10,12-13H2,1H3
InChIKeyGGTMKLIANRVFDW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine

N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine (PubChem CID 10517096) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine.

Molecular Properties

Compound NameN-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine
PubChem CID10517096
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine
SMILESCCN(O)CCc1ccc2c(c1)Cc1ccccc1CO2
InChIInChI=1S/C18H21NO2/c1-2-19(20)10-9-14-7-8-18-17(11-14)12-15-5-3-4-6-16(15)13-21-18/h3-8,11,20H,2,9-10,12-13H2,1H3
InChIKeyGGTMKLIANRVFDW-UHFFFAOYSA-N
XLogP3.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine?
The IUPAC name of N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine (CID 10517096) is N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine.
What is the SMILES notation for N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine?
The canonical SMILES for N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine is CCN(O)CCc1ccc2c(c1)Cc1ccccc1CO2.
What is the InChIKey of N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine?
The InChIKey is GGTMKLIANRVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-19(20)10-9-14-7-8-18-17(11-14)12-15-5-3-4-6-16(15)13-21-18/h3-8,11,20H,2,9-10,12-13H2,1H3.
What are the key properties of N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine?
N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine has a molecular weight of 283.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,11-dihydrobenzo[c][1]benzoxepin-2-yl)ethyl]-N-ethylhydroxylamine is sourced from PubChem (CID 10517096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).