(1,3-Benzodioxol-5-ylmethyl)(3-chlorobenzyl)amine
Basic information
- CAS
423736-31-6- Standard SMILES
Clc1cccc(CNCc2ccc3c(c2)OCO3)c1- InChIKey
MDUBCBQYZLTKFR-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO2
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0713064
Names & identifiers
- Preferred name
- (1,3-Benzodioxol-5-ylmethyl)(3-chlorobenzyl)amine
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)methanamine
- English name
- CHEMBRDG-BB 5946630
- Molecular formula
- C15H14ClNO2
- Molecular weight
- 275.73
Names & synonyms
423736-31-6(1,3-BENZODIOXOL-5-YLMETHYL)(3-CHLOROBENZYL)AMINEN-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)methanamine1-(Benzo[d][1,3]dioxol-5-yl)-N-(3-chlorobenzyl)methanamine[(2H-1,3-benzodioxol-5-yl)methyl][(3-chlorophenyl)methyl]amineCBMicro_038688Oprea1_438927Oprea1_5558711-(1,3-benzodioxol-5-yl)-N-(3-chlorobenzyl)methanamineDTXSID50356685STK128262AKOS000583725
Show more names
AKOS JY2059752CHEMBRDG-BB 59466301,3-Benzodioxole-5-methanamine, N-[(3-chlorophenyl)methyl]-(1,3-benzodioxol-5-ylmethyl)(3-chlorobenzyl)amine(SALTDATA: HBr)
CCG-113332BIM-0038541.P001DB-179035EU-0046780ST451103421-(2H-1,3-Benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]methanamine1-(2H-1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]methanamine--oxalic acid (1/1)
Database identifiers
- CAS
423736-31-6- PubChem CID
- 828754
- DTXSID
DTXSID50356685
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
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Compound notes
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