11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol

C20H26N2O — CID 154699869

IUPAC11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol
SMILESCC(CN(C)C)CN1c2ccccc2CC(O)c2ccccc21
InChIInChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-18-10-6-4-8-16(18)12-20(23)17-9-5-7-11-19(17)22/h4-11,15,20,23H,12-14H2,1-3H3
InChIKeyPBUTZRBWGXMKPS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.61
Rot. Bonds4

About 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol

11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol (PubChem CID 154699869) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol.

Molecular Properties

Compound Name11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol
PubChem CID154699869
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol
SMILESCC(CN(C)C)CN1c2ccccc2CC(O)c2ccccc21
InChIInChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-18-10-6-4-8-16(18)12-20(23)17-9-5-7-11-19(17)22/h4-11,15,20,23H,12-14H2,1-3H3
InChIKeyPBUTZRBWGXMKPS-UHFFFAOYSA-N
XLogP3.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Licarbazepine
CID 114709
Eslicarbazepine
CID 9881504
trans-10,11-Dihydroxy-10,11-dihydrocarbamazepine
CID 114725
4,4'-Bis(dimethylamino)benzhydrol
CID 92742
Licarbazepine, (R)-
CID 9816485
2-Hydroxyimipramine
CID 108051
(10R,11R)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz(b,f)azepine-5-carboxamide
CID 13726064
10,11-Dihydroxycarbamazepine
CID 83852
2-Hydroxytrimipramine
CID 160610
1-Phenyl-2-(4-phenylpiperazino)-1-ethanol
CID 247570
(2-(4-Methylpiperazin-1-yl)phenyl)methanol
CID 2795567
10-Hydroxyimipramine
CID 160545

Frequently Asked Questions

What is the IUPAC name of 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
The IUPAC name of 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol (CID 154699869) is 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol.
What is the SMILES notation for 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
The canonical SMILES for 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol is CC(CN(C)C)CN1c2ccccc2CC(O)c2ccccc21.
What is the InChIKey of 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
The InChIKey is PBUTZRBWGXMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-18-10-6-4-8-16(18)12-20(23)17-9-5-7-11-19(17)22/h4-11,15,20,23H,12-14H2,1-3H3.
What are the key properties of 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol has a molecular weight of 310.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol is sourced from PubChem (CID 154699869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).