1-Pyrrolidineethanamine, alpha-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-

HCID 91640

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Basic information

CAS: 49571-04-2
Standard SMILES: CC(C)COCC(CN1CCCC1)N(Cc1ccccc1)c1ccccc1
InChIKey: PNIJGKVOHIQFBR-UHFFFAOYSA-N
Molecular formula: C24H34N2O
Average molar mass: 366.5 g/mol
Monoisotopic mass: 366.26711371

Names & identifiers

Preferred name: 1-Pyrrolidineethanamine, alpha-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-
IUPAC: N-benzyl-N-[1-(2-methylpropoxy)-3-pyrrolidin-1-ylpropan-2-yl]aniline

Names & synonyms

49571-04-2EINECS 256-384-71-Pyrrolidineethanamine, alpha-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-DTXSID40964273N-benzyl-N-[1-(2-methylpropoxy)-3-(pyrrolidin-1-yl)propan-2-yl]aniline

Database identifiers

CAS: 49571-04-2
PubChem CID: 91640
DTXSID: DTXSID40964273
Nikkaji: J106.944F

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 15.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 27
Formal charge: 0
Complexity: 382

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