Basic information
- Standard SMILES
CCC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2- InChIKey
QTPHSDHUHXUYFE-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.1236763
Overview
structure in first source
Names & identifiers
- Preferred name
- Huprine X
- IUPAC
- 7-chloro-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine
Names & synonyms
huprine xDTXSID901336714RefChem:923093DTXCID801766958CHEMBL143812rac-huprine H7SCHEMBL7115053BDBM10597NCI60_041180AN-907/40848043(1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine7-chloro-15-ethyl-(1R,13S)-10-azoniatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
Show more names
7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0~2,11~.0~4,9~]heptadeca-2(11),3,5,7,9,14-hexaen-3-ylamine
Database identifiers
- PubChem CID
- 3632
- DTXSID
DTXSID901336714- ChEMBL
CHEMBL143812、CHEMBL208599
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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