1-(2,5-Dimethylphenyl)propan-1-amine
Basic information
- CAS
1032225-94-7- Standard SMILES
CCC(N)c1cc(C)ccc1C- InChIKey
XPMSOVRYPXMULZ-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylphenyl)propan-1-amine
- IUPAC
- 1-(2,5-dimethylphenyl)propan-1-amine
- English name
- (1R)-1-(2,5-Dimethylphenyl)propylamine
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
1-(2,5-dimethylphenyl)propan-1-amine1032225-94-71018586-68-9(1R)-1-(2,5-dimethylphenyl)propan-1-amineSCHEMBL19231144DTXSID30655709TQB58668AKOS000248852SB76019EN300-3210691-(2,5-dimethylphenyl)-1-propanamine(1R)-1-(2,5-Dimethylphenyl)propylamine
Show more names
"(1R)-1-(2,5-dimethylphenyl)propan-1-amine"Benzenemethanamine, α-ethyl-2,5-dimethyl-, (αR)-
Database identifiers
- CAS
1032225-94-7- PubChem CID
- 43198575
- DTXSID
DTXSID30655709
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 247.656 · 247.656±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.929 · 0.929±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.562 · 9.562±0.10(predicted)
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Compound notes
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