1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol

C18H22N2O — CID 143127873

IUPAC1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CC1Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H22N2O/c1-19-12-15(21)11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20-18/h2-9,15,18-21H,10-12H2,1H3
InChIKeyPCLDRBNDFOHONS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.71
Rot. Bonds4

About 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol

1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol (PubChem CID 143127873) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol
PubChem CID143127873
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CC1Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H22N2O/c1-19-12-15(21)11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20-18/h2-9,15,18-21H,10-12H2,1H3
InChIKeyPCLDRBNDFOHONS-UHFFFAOYSA-N
XLogP2.71
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol (CID 143127873) is 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol is CNCC(O)CC1Nc2ccccc2Cc2ccccc21.
What is the InChIKey of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol?
The InChIKey is PCLDRBNDFOHONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-12-15(21)11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20-18/h2-9,15,18-21H,10-12H2,1H3.
What are the key properties of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol?
1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 143127873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).