[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride

C21H25ClN2O2 — CID 120930453

IUPAC[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCOCC1
InChIInChI=1S/C21H24N2O2.ClH/c22-15-21(9-11-25-12-10-21)20(24)23-13-16-5-1-3-7-18(16)19-8-4-2-6-17(19)14-23;/h1-8H,9-15,22H2;1H
InChIKeyPQBOEWXVGQVPNT-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.37
Rot. Bonds2

About [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride

[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride (PubChem CID 120930453) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride
PubChem CID120930453
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCOCC1
InChIInChI=1S/C21H24N2O2.ClH/c22-15-21(9-11-25-12-10-21)20(24)23-13-16-5-1-3-7-18(16)19-8-4-2-6-17(19)14-23;/h1-8H,9-15,22H2;1H
InChIKeyPQBOEWXVGQVPNT-UHFFFAOYSA-N
XLogP3.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride with MolForge

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Related Compounds

4-[4-(aminomethyl)oxane-4-carbonyl]piperazine-2,6-dione
CID 66082926
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 115442062
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 120929572
[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 120931313
[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120937744
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
4-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939135
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride (CID 120930453) is [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride is Cl.NCC1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride?
The InChIKey is PQBOEWXVGQVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c22-15-21(9-11-25-12-10-21)20(24)23-13-16-5-1-3-7-18(16)19-8-4-2-6-17(19)14-23;/h1-8H,9-15,22H2;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride is sourced from PubChem (CID 120930453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).