1,4-Butanediamine, N4-[(4-fluorophenyl)methyl]-N1-methyl-N1-(1-methylethyl)-
Basic information
- CAS
1284529-43-6- Standard SMILES
CC(C)N(C)CCCCNCc1ccc(F)cc1- InChIKey
GXEQOPABUPIUQO-UHFFFAOYSA-N- Molecular formula
- C15H25FN2
- Average molar mass
- 252.37 g/mol
- Monoisotopic mass
- 252.20017697
Names & identifiers
- Preferred name
- 1,4-Butanediamine, N4-[(4-fluorophenyl)methyl]-N1-methyl-N1-(1-methylethyl)-
- IUPAC
- N-[(4-fluorophenyl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
Names & synonyms
DTXSID901140983AKOS0110824931,4-Butanediamine, N4-[(4-fluorophenyl)methyl]-N1-methyl-N1-(1-methylethyl)-N~4~-[(4-Fluorophenyl)methyl]-N~1~-methyl-N~1~-(propan-2-yl)butane-1,4-diamine1284529-43-6
Database identifiers
- CAS
1284529-43-6- PubChem CID
- 61809488
- DTXSID
DTXSID901140983
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 201
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Compound notes
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