[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine

C19H23N3 — CID 70407533

IUPAC[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine
SMILESNCc1ccccc1[C@H]1CN2CCNC[C@H]2c2ccccc21
InChIInChI=1S/C19H23N3/c20-11-14-5-1-2-6-15(14)18-13-22-10-9-21-12-19(22)17-8-4-3-7-16(17)18/h1-8,18-19,21H,9-13,20H2/t18-,19+/m1/s1
InChIKeyMXVIFALYGAOFBQ-MOPGFXCFSA-N
MW293.41 g/mol
LogP2.24
Rot. Bonds2

About [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine

[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine (PubChem CID 70407533) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine
PubChem CID70407533
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine
SMILESNCc1ccccc1[C@H]1CN2CCNC[C@H]2c2ccccc21
InChIInChI=1S/C19H23N3/c20-11-14-5-1-2-6-15(14)18-13-22-10-9-21-12-19(22)17-8-4-3-7-16(17)18/h1-8,18-19,21H,9-13,20H2/t18-,19+/m1/s1
InChIKeyMXVIFALYGAOFBQ-MOPGFXCFSA-N
XLogP2.24
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(7S,11bS)-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-8-yl]methanamine;dihydrochloride
CID 70381041
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 13457898
(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 57134658
(7S,11bR)-7-(4-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 70407383
4-[(7S,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]-N-methylaniline;dihydrochloride
CID 70408466
(7S,11bS)-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-11-amine;dihydrochloride
CID 70380809
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride
CID 21292058
(7S,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 70382095
(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 70407541
7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 21292107
1-[2-(aminomethyl)phenyl]-2-(2-phenylpiperazin-1-yl)ethanol
CID 21292120
(7S,11bS)-8-(aminomethyl)-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
CID 70381856

Frequently Asked Questions

What is the IUPAC name of [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine?
The IUPAC name of [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine (CID 70407533) is [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine.
What is the SMILES notation for [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine?
The canonical SMILES for [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine is NCc1ccccc1[C@H]1CN2CCNC[C@H]2c2ccccc21.
What is the InChIKey of [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine?
The InChIKey is MXVIFALYGAOFBQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23N3/c20-11-14-5-1-2-6-15(14)18-13-22-10-9-21-12-19(22)17-8-4-3-7-16(17)18/h1-8,18-19,21H,9-13,20H2/t18-,19+/m1/s1.
What are the key properties of [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine?
[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine is sourced from PubChem (CID 70407533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).