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

C18H21NO — CID 23287877

IUPAC3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol
SMILESCc1ccc2c(c1)N(CCCO)c1ccccc1CC2
InChIInChI=1S/C18H21NO/c1-14-7-8-16-10-9-15-5-2-3-6-17(15)19(11-4-12-20)18(16)13-14/h2-3,5-8,13,20H,4,9-12H2,1H3
InChIKeyOZOLNXOPJJMEPT-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.61
Rot. Bonds3

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

3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol (PubChem CID 23287877) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol
PubChem CID23287877
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol
SMILESCc1ccc2c(c1)N(CCCO)c1ccccc1CC2
InChIInChI=1S/C18H21NO/c1-14-7-8-16-10-9-15-5-2-3-6-17(15)19(11-4-12-20)18(16)13-14/h2-3,5-8,13,20H,4,9-12H2,1H3
InChIKeyOZOLNXOPJJMEPT-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol?
The IUPAC name of 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol (CID 23287877) is 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol?
The canonical SMILES for 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol is Cc1ccc2c(c1)N(CCCO)c1ccccc1CC2.
What is the InChIKey of 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol?
The InChIKey is OZOLNXOPJJMEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-7-8-16-10-9-15-5-2-3-6-17(15)19(11-4-12-20)18(16)13-14/h2-3,5-8,13,20H,4,9-12H2,1H3.
What are the key properties of 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol?
3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol is sourced from PubChem (CID 23287877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).