Basic information
- CAS
107035-06-3- Standard SMILES
Nc1ccc(C2c3ccccc3C3NCCCC32)cc1- InChIKey
WRODVCIVODHZFB-UHFFFAOYSA-N- Molecular formula
- C18H20N2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.16264865
Overview
RN & structure given in first source; RN given refers to (+-)-isomer; RN not in Chemline 6/87
Names & identifiers
- Preferred name
- 5-(4-aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine
- IUPAC
- 4-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
- English name
- 5-(4-aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine
- Molecular weight
- 0
Names & synonyms
107035-06-35-(4-Aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridineRefChem:1016885-APHIP4-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline(+-)-2,3,4,4a,5,9b-Hexahydro-5-(4-aminophenyl)-1H-indeno(1,2-b)pyridine(+-)-5-(4-Aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridineSCHEMBL11645451DTXSID309102241H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-aminophenyl)-, (+-)-
Database identifiers
- CAS
107035-06-3- PubChem CID
- 129490
- DTXSID
DTXSID30910224
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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