1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine

C17H18N2 — CID 125471269

IUPAC1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine
SMILESCNC[C@H]1Nc2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H18N2/c1-18-12-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)19-17/h2-11,17-19H,12H2,1H3/t17-/m1/s1
InChIKeyQBBPYOKCMMUEBU-QGZVFWFLSA-N
MW250.35 g/mol
LogP3.54
Rot. Bonds2

About 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine

1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine (PubChem CID 125471269) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine
PubChem CID125471269
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine
SMILESCNC[C@H]1Nc2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H18N2/c1-18-12-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)19-17/h2-11,17-19H,12H2,1H3/t17-/m1/s1
InChIKeyQBBPYOKCMMUEBU-QGZVFWFLSA-N
XLogP3.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine
CID 14156741
N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine
CID 11044549
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
2-propan-2-yl-1,2-dihydroquinoline
CID 126659011
CID 18688288
CID 18688288
2-ethyl-1,2-dihydrobenzo[cd]indole
CID 162781792
CID 173341423
CID 173341423
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001
1,2-dihydroquinolin-2-ylmethyl(trimethyl)silane
CID 11115651
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-N-methylpropan-1-amine
CID 21412088
(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 162529967

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine (CID 125471269) is 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine is CNC[C@H]1Nc2ccccc2C=Cc2ccccc21.
What is the InChIKey of 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine?
The InChIKey is QBBPYOKCMMUEBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2/c1-18-12-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)19-17/h2-11,17-19H,12H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine?
1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine has a molecular weight of 250.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 125471269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).