4-[2-(difluoromethoxy)phenyl]butan-1-amine

C11H15F2NO — CID 117306539

IUPAC4-[2-(difluoromethoxy)phenyl]butan-1-amine
SMILESNCCCCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO/c12-11(13)15-10-7-2-1-5-9(10)6-3-4-8-14/h1-2,5,7,11H,3-4,6,8,14H2
InChIKeyZKGHHHJKVMHRRU-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.57
Rot. Bonds6

About 4-[2-(difluoromethoxy)phenyl]butan-1-amine

4-[2-(difluoromethoxy)phenyl]butan-1-amine (PubChem CID 117306539) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)phenyl]butan-1-amine
PubChem CID117306539
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-[2-(difluoromethoxy)phenyl]butan-1-amine
SMILESNCCCCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO/c12-11(13)15-10-7-2-1-5-9(10)6-3-4-8-14/h1-2,5,7,11H,3-4,6,8,14H2
InChIKeyZKGHHHJKVMHRRU-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
CID 110062319
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine
CID 116642290
2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 119016478
1-(2-dodecylphenoxy)ethanol
CID 175113805
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 4-[2-(difluoromethoxy)phenyl]butan-1-amine (CID 117306539) is 4-[2-(difluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 4-[2-(difluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 4-[2-(difluoromethoxy)phenyl]butan-1-amine is NCCCCc1ccccc1OC(F)F.
What is the InChIKey of 4-[2-(difluoromethoxy)phenyl]butan-1-amine?
The InChIKey is ZKGHHHJKVMHRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)15-10-7-2-1-5-9(10)6-3-4-8-14/h1-2,5,7,11H,3-4,6,8,14H2.
What are the key properties of 4-[2-(difluoromethoxy)phenyl]butan-1-amine?
4-[2-(difluoromethoxy)phenyl]butan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 117306539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).