3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride

C19H23Cl3N2 — CID 129318631

IUPAC3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2cc(Cl)ccc2CCc2ccc(Cl)cc21.Cl
InChIInChI=1S/C19H22Cl2N2.ClH/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H
InChIKeyZQIGPUHBKAQZPE-UHFFFAOYSA-N
MW385.77 g/mol
LogP5.60
Rot. Bonds4

About 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride

3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 129318631) has the molecular formula C19H23Cl3N2 and a molecular weight of 385.77 g/mol. Its IUPAC name is 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID129318631
Molecular FormulaC19H23Cl3N2
Molecular Weight385.77 g/mol
Exact Mass384.09
IUPAC Name3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2cc(Cl)ccc2CCc2ccc(Cl)cc21.Cl
InChIInChI=1S/C19H22Cl2N2.ClH/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H
InChIKeyZQIGPUHBKAQZPE-UHFFFAOYSA-N
XLogP5.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.77
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride with MolForge

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Related Compounds

3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrate;hydrochloride
CID 90158861
(E)-4-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]but-2-enoic acid;hydrochloride
CID 155367597
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydron;chloride
CID 657207
N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
CID 10089109
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-ethylpropan-1-amine
CID 102077746
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
CID 174593466
(E)-but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 67276536
(4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one
CID 40541661
3-(2,9-difluoro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-diethylpropan-1-amine
CID 23628172
3-(2-chlorobenzo[b][1]benzazepin-11-yl)-N,N-bis(trideuteriomethyl)propan-1-amine
CID 162641277
8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol
CID 12519492
7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one
CID 71021466

Frequently Asked Questions

What is the IUPAC name of 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride (CID 129318631) is 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCN1c2cc(Cl)ccc2CCc2ccc(Cl)cc21.Cl.
What is the InChIKey of 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is ZQIGPUHBKAQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2.ClH/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H.
What are the key properties of 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 385.77 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 129318631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).