2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride

C18H23ClN2 — CID 134096593

IUPAC2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
SMILESCNCC(C)N1c2ccccc2CCc2ccccc21.Cl
InChIInChI=1S/C18H22N2.ClH/c1-14(13-19-2)20-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)20;/h3-10,14,19H,11-13H2,1-2H3;1H
InChIKeyTVEVXPLUMGUHOK-UHFFFAOYSA-N
MW302.85 g/mol
LogP3.95
Rot. Bonds3

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

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride (PubChem CID 134096593) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
PubChem CID134096593
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
SMILESCNCC(C)N1c2ccccc2CCc2ccccc21.Cl
InChIInChI=1S/C18H22N2.ClH/c1-14(13-19-2)20-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)20;/h3-10,14,19H,11-13H2,1-2H3;1H
InChIKeyTVEVXPLUMGUHOK-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
CID 24035
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one;hydrochloride
CID 11726069
10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile
CID 67922685
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103225397
11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine
CID 70973534
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
CID 62557981
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-(methylamino)propan-1-ol
CID 23619736
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
(2R)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763093

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride (CID 134096593) is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride is CNCC(C)N1c2ccccc2CCc2ccccc21.Cl.
What is the InChIKey of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride?
The InChIKey is TVEVXPLUMGUHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.ClH/c1-14(13-19-2)20-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)20;/h3-10,14,19H,11-13H2,1-2H3;1H.
What are the key properties of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride?
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 134096593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).