11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol

C19H24N2O — CID 53462006

IUPAC11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
SMILESCNCC(C)CN1c2ccccc2CCc2cc(O)ccc21
InChIInChI=1S/C19H24N2O/c1-14(12-20-2)13-21-18-6-4-3-5-15(18)7-8-16-11-17(22)9-10-19(16)21/h3-6,9-11,14,20,22H,7-8,12-13H2,1-2H3
InChIKeyLITUUVIRCVGRTI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.48
Rot. Bonds4

About 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol

11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol (PubChem CID 53462006) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol.

Molecular Properties

Compound Name11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
PubChem CID53462006
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
SMILESCNCC(C)CN1c2ccccc2CCc2cc(O)ccc21
InChIInChI=1S/C19H24N2O/c1-14(12-20-2)13-21-18-6-4-3-5-15(18)7-8-16-11-17(22)9-10-19(16)21/h3-6,9-11,14,20,22H,7-8,12-13H2,1-2H3
InChIKeyLITUUVIRCVGRTI-UHFFFAOYSA-N
XLogP3.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol?
The IUPAC name of 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol (CID 53462006) is 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol.
What is the SMILES notation for 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol?
The canonical SMILES for 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol is CNCC(C)CN1c2ccccc2CCc2cc(O)ccc21.
What is the InChIKey of 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol?
The InChIKey is LITUUVIRCVGRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(12-20-2)13-21-18-6-4-3-5-15(18)7-8-16-11-17(22)9-10-19(16)21/h3-6,9-11,14,20,22H,7-8,12-13H2,1-2H3.
What are the key properties of 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol?
11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol has a molecular weight of 296.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol is sourced from PubChem (CID 53462006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).