2-Bromo-N-(cyclopentylmethyl)aniline

HCID 61344809

Notes Reactions

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Basic information

CAS: 919800-38-7
Standard SMILES: Brc1ccccc1NCC1CCCC1
InChIKey: DFOXELLVQYQDJE-UHFFFAOYSA-N
Molecular formula: C12H16BrN
Average molar mass: 254.17 g/mol
Monoisotopic mass: 253.04661

Names & identifiers

Preferred name: 2-Bromo-N-(cyclopentylmethyl)aniline
IUPAC: 2-bromo-N-(cyclopentylmethyl)aniline

Names & synonyms

2-Bromo-N-(cyclopentylmethyl)aniline919800-38-7SCHEMBL1238974DTXSID80734199DFOXELLVQYQDJE-UHFFFAOYSA-NAKOS010600448cyclopentylmethyl-(2-bromo-phenyl)-amine

Database identifiers

CAS: 919800-38-7
PubChem CID: 61344809
DTXSID: DTXSID80734199

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 166

Related reactions

2 records

New reaction record

HRID 1363820As reactantuspto-grants-2011_02

HRID 2044004As reactantuspto-grants-2013_11

Compound notes

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