4-(2,3-difluorophenoxy)pentan-2-amine

C11H15F2NO — CID 64720911

IUPAC4-(2,3-difluorophenoxy)pentan-2-amine
SMILESCC(N)CC(C)Oc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO/c1-7(14)6-8(2)15-10-5-3-4-9(12)11(10)13/h3-5,7-8H,6,14H2,1-2H3
InChIKeyNWRAMEFOEQZKPF-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.47
Rot. Bonds4

About 4-(2,3-difluorophenoxy)pentan-2-amine

4-(2,3-difluorophenoxy)pentan-2-amine (PubChem CID 64720911) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)pentan-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)pentan-2-amine
PubChem CID64720911
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(2,3-difluorophenoxy)pentan-2-amine
SMILESCC(N)CC(C)Oc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO/c1-7(14)6-8(2)15-10-5-3-4-9(12)11(10)13/h3-5,7-8H,6,14H2,1-2H3
InChIKeyNWRAMEFOEQZKPF-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide
CID 114990882
3-(2,3-difluorophenoxy)butanimidamide
CID 114988073
4-(2-methylphenoxy)pentan-2-amine
CID 64707496
1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
2-(2,3-difluorophenoxy)propanamide
CID 63038540
N-[2-(2,3-difluorophenoxy)propyl]butan-1-amine
CID 55142850
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
CID 63802336
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 55143417
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)pentan-2-amine?
The IUPAC name of 4-(2,3-difluorophenoxy)pentan-2-amine (CID 64720911) is 4-(2,3-difluorophenoxy)pentan-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenoxy)pentan-2-amine?
The canonical SMILES for 4-(2,3-difluorophenoxy)pentan-2-amine is CC(N)CC(C)Oc1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenoxy)pentan-2-amine?
The InChIKey is NWRAMEFOEQZKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(14)6-8(2)15-10-5-3-4-9(12)11(10)13/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of 4-(2,3-difluorophenoxy)pentan-2-amine?
4-(2,3-difluorophenoxy)pentan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)pentan-2-amine is sourced from PubChem (CID 64720911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).