Benzenemethanamine, N-butyl-3-iodo-

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Basic information

CAS: 60509-41-3
Standard SMILES: CCCCNCc1cccc(I)c1
InChIKey: QLCYKAJQHUGTBH-UHFFFAOYSA-N
Molecular formula: C11H16IN
Average molar mass: 289.16 g/mol
Monoisotopic mass: 289.03275

Names & identifiers

Preferred name: Benzenemethanamine, N-butyl-3-iodo-
IUPAC: N-[(3-iodophenyl)methyl]butan-1-amine

Names & synonyms

Benzenemethanamine, N-butyl-3-iodo-N-[(3-iodophenyl)methyl]butan-1-amine60509-41-390389-61-0N-(3-Iodobenzyl)butan-1-amineN-Butyl-3-iodobenzenemethanamineBUTYL[(3-IODOPHENYL)METHYL]AMINEn-butyl 3-iodobenzylamineSCHEMBL1951198CHEMBL1178163DTXSID20209255QLCYKAJQHUGTBH-UHFFFAOYSA-N

Show more names

MFCD27926190A1-32061

Database identifiers

CAS: 60509-41-3
PubChem CID: 457593
DTXSID: DTXSID20209255
ChEMBL: CHEMBL1178163

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 127

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Compound notes

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