Basic information
- CAS
63991-37-7- Standard SMILES
CCCCNCC(O)c1cccc(F)c1- InChIKey
VYSHHZZXEWZRRN-UHFFFAOYSA-N- Molecular formula
- C12H18FNO
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.13724236
Names & identifiers
- Preferred name
- 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol
- IUPAC
- 2-(butylamino)-1-(3-fluorophenyl)ethanol
- English name
- α-[(Butylamino)methyl]-3-fluorobenzyl alcohol
- Molecular formula
- C12H18FNO
- Molecular weight
- 211.28
Names & synonyms
63991-37-72-(Butylamino)-1-(3-fluorophenyl)ethan-1-olDTXSID00981820RefChem:1061499DTXCID601409089alpha-[(Butylamino)methyl]-3-fluorobenzyl alcohol2-Butylamino-1-(3-fluorophenyl)ethanolEthanol, 2-butylamino-1-(3-fluorophenyl)-alpha-(Butylaminomethyl)-3-fluorobenzyl alcoholBENZYL ALCOHOL, alpha-(BUTYLAMINOMETHYL)-3-FLUORO-SCHEMBL10875706SCHEMBL30956698
Show more names
α-[(Butylamino)methyl]-3-fluorobenzyl alcoholBenzenemethanol, α-[(butylamino)methyl]-3-fluoro-
DB-321876alpha-[(butylamino)methyl ]-3-fluorobenzyl alcohol
Database identifiers
- CAS
63991-37-7- PubChem CID
- 11404
- DTXSID
DTXSID00981820- Nikkaji
- J69.019H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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