11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol

C19H23NO2 — CID 20593

IUPAC11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol
SMILESCN(C)CCCC1(O)c2ccccc2COc2ccccc21
InChIInChI=1S/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3
InChIKeyZEKLFUWSVQYTOO-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.16
Rot. Bonds4

About 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol

11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol (PubChem CID 20593) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol.

Molecular Properties

Compound Name11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol
PubChem CID20593
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol
SMILESCN(C)CCCC1(O)c2ccccc2COc2ccccc21
InChIInChI=1S/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3
InChIKeyZEKLFUWSVQYTOO-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Doxepin
CID 3158
Tramadol
CID 33741
Tramadol Hydrochloride
CID 63013
Sinequan
CID 667477
Doxepin Hydrochloride
CID 6419921
2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
CID 5523
(Z)-Doxepin
CID 667468
Tramadol N-Oxide
CID 9861699
Beloxepin
CID 166560
1-Propanamine, 3-(dibenz[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-, hydrochloride (1:1)
CID 14675
(3Z)-3-Dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-1-propanamine
CID 5353833
Cidoxepin Hydrochloride
CID 5281088

Frequently Asked Questions

What is the IUPAC name of 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol?
The IUPAC name of 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol (CID 20593) is 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol.
What is the SMILES notation for 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol?
The canonical SMILES for 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol is CN(C)CCCC1(O)c2ccccc2COc2ccccc21.
What is the InChIKey of 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol?
The InChIKey is ZEKLFUWSVQYTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3.
What are the key properties of 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol?
11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol has a molecular weight of 297.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 20593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).