1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine

C17H18N2 — CID 177222923

IUPAC1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine
SMILESCC(N)N1Cc2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C17H18N2/c1-13(18)19-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)19/h2-11,13H,12,18H2,1H3/b11-10-
InChIKeyOJVXSJFBCODLSJ-KHPPLWFESA-N
MW250.35 g/mol
LogP3.48
Rot. Bonds1

About 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine

1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine (PubChem CID 177222923) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine
PubChem CID177222923
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine
SMILESCC(N)N1Cc2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C17H18N2/c1-13(18)19-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)19/h2-11,13H,12,18H2,1H3/b11-10-
InChIKeyOJVXSJFBCODLSJ-KHPPLWFESA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-hydroxybutanoic acid
CID 176970130
(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine
CID 139445224
1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-3-(propan-2-ylamino)propan-1-one
CID 146395638
ethane;2-propan-2-yl-1H-isoquinoline;yttrium
CID 160548203
(11Z)-5,11,12-tri(propan-2-yl)-6H-benzo[c][1]benzazocine
CID 168786359
2-methyl-1H-isoquinoline;1-methyl-2H-quinoline
CID 161281450
4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxo-N-(1-oxopropan-2-yl)butanamide
CID 142450263
2-methyl-1H-isoquinoline;hydrochloride
CID 173000656
2-methyl-1,3-dihydro-2-benzazepine
CID 10898976
6-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-N-(2-methylpropyl)-6-oxohexanamide
CID 170972321
ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one
CID 142243326
N-methyl-1H-isoquinolin-2-amine
CID 89267020

Frequently Asked Questions

What is the IUPAC name of 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine?
The IUPAC name of 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine (CID 177222923) is 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine.
What is the SMILES notation for 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine?
The canonical SMILES for 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine is CC(N)N1Cc2ccccc2/C=C\c2ccccc21.
What is the InChIKey of 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine?
The InChIKey is OJVXSJFBCODLSJ-KHPPLWFESA-N. The full InChI is InChI=1S/C17H18N2/c1-13(18)19-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)19/h2-11,13H,12,18H2,1H3/b11-10-.
What are the key properties of 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine?
1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine has a molecular weight of 250.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine is sourced from PubChem (CID 177222923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).