p-(Cyclopentyloxy)-alpha-methylbenzylamine
Basic information
- CAS
100617-43-4- Standard SMILES
CC(N)c1ccc(OC2CCCC2)cc1- InChIKey
KNECCLNJJLLHAO-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- p-(Cyclopentyloxy)-alpha-methylbenzylamine
- IUPAC
- 1-(4-cyclopentyloxyphenyl)ethanamine
- English name
- Benzenemethanamine, 4-(cyclopentyloxy)-.alpha.-methyl-
- Molecular formula
- C13H19NO
- Molecular weight
- 205.29606
Names & synonyms
100617-43-4p-(Cyclopentyloxy)-alpha-methylbenzylamine1-(4-cyclopentyloxyphenyl)ethanamineBRN 3264251benzenemethanamine, 4-(cyclopentyloxy)-alpha-methyl-BENZYLAMINE, p-(CYCLOPENTYLOXY)-alpha-METHYL-Benzenemethanamine, 4-(cyclopentyloxy)-.alpha.-methyl-SCHEMBL8285886DTXSID209056291-[4-(cyclopentoxy)phenyl]ethanamineAKOS0001481701-[4-(Cyclopentyloxy)phenyl]ethan-1-amine
Show more names
1-(4-(cyclopentyloxy)phenyl)ethan-1-amine(R)-1-(4-fluoronaphthalen-1-yl)ethan-1-amineBenzenemethanamine, 4-(cyclopentyloxy)-α-methyl-
DB-325864N16448A1-05264benzenemethanamine,4-(cyclopentyloxy)-alpha-methyl-
Database identifiers
- CAS
100617-43-4- PubChem CID
- 57947
- DTXSID
DTXSID20905629
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 323.1 · 323.1±25.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 9.3 · 9.30±0.10(Predicted)
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Compound notes
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