N,N-diethylbenzo[d][1]benzoxepin-3-amine

C18H19NO — CID 69313406

IUPACN,N-diethylbenzo[d][1]benzoxepin-3-amine
SMILESCCN(CC)c1ccc2c(c1)OC=Cc1ccccc1-2
InChIInChI=1S/C18H19NO/c1-3-19(4-2)15-9-10-17-16-8-6-5-7-14(16)11-12-20-18(17)13-15/h5-13H,3-4H2,1-2H3
InChIKeyPPBIGELZLRJTIB-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.56
Rot. Bonds3

About N,N-diethylbenzo[d][1]benzoxepin-3-amine

N,N-diethylbenzo[d][1]benzoxepin-3-amine (PubChem CID 69313406) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-diethylbenzo[d][1]benzoxepin-3-amine.

Molecular Properties

Compound NameN,N-diethylbenzo[d][1]benzoxepin-3-amine
PubChem CID69313406
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN,N-diethylbenzo[d][1]benzoxepin-3-amine
SMILESCCN(CC)c1ccc2c(c1)OC=Cc1ccccc1-2
InChIInChI=1S/C18H19NO/c1-3-19(4-2)15-9-10-17-16-8-6-5-7-14(16)11-12-20-18(17)13-15/h5-13H,3-4H2,1-2H3
InChIKeyPPBIGELZLRJTIB-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one
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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbenzo[d][1]benzoxepin-3-amine?
The IUPAC name of N,N-diethylbenzo[d][1]benzoxepin-3-amine (CID 69313406) is N,N-diethylbenzo[d][1]benzoxepin-3-amine.
What is the SMILES notation for N,N-diethylbenzo[d][1]benzoxepin-3-amine?
The canonical SMILES for N,N-diethylbenzo[d][1]benzoxepin-3-amine is CCN(CC)c1ccc2c(c1)OC=Cc1ccccc1-2.
What is the InChIKey of N,N-diethylbenzo[d][1]benzoxepin-3-amine?
The InChIKey is PPBIGELZLRJTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-19(4-2)15-9-10-17-16-8-6-5-7-14(16)11-12-20-18(17)13-15/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethylbenzo[d][1]benzoxepin-3-amine?
N,N-diethylbenzo[d][1]benzoxepin-3-amine has a molecular weight of 265.36 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbenzo[d][1]benzoxepin-3-amine is sourced from PubChem (CID 69313406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).