1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine

C11H15F2NO — CID 102869382

IUPAC1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
SMILESCC(NCCOc1ccccc1)C(F)F
InChIInChI=1S/C11H15F2NO/c1-9(11(12)13)14-7-8-15-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3
InChIKeyKEHNHGBYHQGNGG-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.31
Rot. Bonds6

About 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine

1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine (PubChem CID 102869382) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
PubChem CID102869382
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
SMILESCC(NCCOc1ccccc1)C(F)F
InChIInChI=1S/C11H15F2NO/c1-9(11(12)13)14-7-8-15-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3
InChIKeyKEHNHGBYHQGNGG-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 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 ≤ 52.31
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

2-methyl-3-(2-phenoxyethylamino)butanoic acid
CID 79391971
3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine
CID 63517055
1-iodo-3-methyl-N-(2-phenoxyethyl)butan-2-amine
CID 107859490
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine (CID 102869382) is 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine is CC(NCCOc1ccccc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine?
The InChIKey is KEHNHGBYHQGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-9(11(12)13)14-7-8-15-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3.
What are the key properties of 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine?
1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine is sourced from PubChem (CID 102869382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).