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

C19H23ClN2O — CID 6420913

IUPAC2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol
SMILESCN(C)CCCN1c2ccccc2CC(O)c2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)12-19(23)16-9-8-15(20)13-18(16)22/h3-4,6-9,13,19,23H,5,10-12H2,1-2H3
InChIKeySATHMWNGUPSXIE-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.02
Rot. Bonds4

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

2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol (PubChem CID 6420913) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol.

Molecular Properties

Compound Name2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol
PubChem CID6420913
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol
SMILESCN(C)CCCN1c2ccccc2CC(O)c2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)12-19(23)16-9-8-15(20)13-18(16)22/h3-4,6-9,13,19,23H,5,10-12H2,1-2H3
InChIKeySATHMWNGUPSXIE-UHFFFAOYSA-N
XLogP4.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
The IUPAC name of 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol (CID 6420913) is 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol.
What is the SMILES notation for 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
The canonical SMILES for 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol is CN(C)CCCN1c2ccccc2CC(O)c2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
The InChIKey is SATHMWNGUPSXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)12-19(23)16-9-8-15(20)13-18(16)22/h3-4,6-9,13,19,23H,5,10-12H2,1-2H3.
What are the key properties of 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol?
2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol has a molecular weight of 330.86 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol is sourced from PubChem (CID 6420913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).