1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine

C12H15F2NO — CID 43150374

IUPAC1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C12H15F2NO/c1-7(15)9-6-10(9)8-4-2-3-5-11(8)16-12(13)14/h2-5,7,9-10,12H,6,15H2,1H3
InChIKeyGKIAMESJKUETGQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.74
Rot. Bonds4

About 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine

1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine (PubChem CID 43150374) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
PubChem CID43150374
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C12H15F2NO/c1-7(15)9-6-10(9)8-4-2-3-5-11(8)16-12(13)14/h2-5,7,9-10,12H,6,15H2,1H3
InChIKeyGKIAMESJKUETGQ-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
CID 55209398
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 93284927
(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
CID 29079561
N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide
CID 166419773
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 117326824

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine (CID 43150374) is 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine is CC(N)C1CC1c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
The InChIKey is GKIAMESJKUETGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(15)9-6-10(9)8-4-2-3-5-11(8)16-12(13)14/h2-5,7,9-10,12H,6,15H2,1H3.
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine has a molecular weight of 227.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 43150374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).