4-(3,5-difluorophenoxy)-N-methylpentan-2-amine

C12H17F2NO — CID 64720468

IUPAC4-(3,5-difluorophenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(15-3)4-9(2)16-12-6-10(13)5-11(14)7-12/h5-9,15H,4H2,1-3H3
InChIKeyUONBBAGGFLGREA-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.73
Rot. Bonds5

About 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine

4-(3,5-difluorophenoxy)-N-methylpentan-2-amine (PubChem CID 64720468) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-N-methylpentan-2-amine
PubChem CID64720468
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name4-(3,5-difluorophenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(15-3)4-9(2)16-12-6-10(13)5-11(14)7-12/h5-9,15H,4H2,1-3H3
InChIKeyUONBBAGGFLGREA-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-difluorophenoxy)pentan-2-amine
CID 64720470
4-(4-chlorophenoxy)-N-methylpentan-2-amine
CID 64720466
N-[2-(3,5-difluorophenoxy)propyl]pentan-2-amine
CID 62785273
N-methyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719800
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 64728208
4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
CID 64707879
2-(3,5-difluorophenoxy)-3-methylbutan-1-amine
CID 62784520
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine?
The IUPAC name of 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine (CID 64720468) is 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine?
The canonical SMILES for 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine is CNC(C)CC(C)Oc1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine?
The InChIKey is UONBBAGGFLGREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(15-3)4-9(2)16-12-6-10(13)5-11(14)7-12/h5-9,15H,4H2,1-3H3.
What are the key properties of 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine?
4-(3,5-difluorophenoxy)-N-methylpentan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 64720468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).