2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine

C12H15F2NO — CID 65497318

IUPAC2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2NO/c13-9-1-2-10(14)11(7-9)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyAZXFJLWTDRSIFP-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.47
Rot. Bonds5

About 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine

2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine (PubChem CID 65497318) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine
PubChem CID65497318
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2NO/c13-9-1-2-10(14)11(7-9)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyAZXFJLWTDRSIFP-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497942
2-[[1-(bromomethyl)cyclobutyl]methoxy]-1,4-difluorobenzene
CID 65008006
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65498164
2-[1-[(2,4-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65495619
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65496044
2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanamine
CID 65496036
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine
CID 65496896
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine
CID 65494913
1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene
CID 174681914
2-[1-[(2,4,6-trimethylphenoxy)methyl]cyclopropyl]ethanamine
CID 65495410
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine (CID 65497318) is 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine is NCCC1(COc2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine?
The InChIKey is AZXFJLWTDRSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-1-2-10(14)11(7-9)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2.
What are the key properties of 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine?
2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine has a molecular weight of 227.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65497318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).