N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine

C13H15F2NO — CID 103067234

IUPACN-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO/c1-9(7-16-11-3-4-11)8-17-13-6-10(14)2-5-12(13)15/h2,5-6,11,16H,1,3-4,7-8H2
InChIKeyBNJPHSUBHFJAMW-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.65
Rot. Bonds6

About N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103067234) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103067234
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC NameN-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO/c1-9(7-16-11-3-4-11)8-17-13-6-10(14)2-5-12(13)15/h2,5-6,11,16H,1,3-4,7-8H2
InChIKeyBNJPHSUBHFJAMW-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-fluoro-4-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066948
[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 103067254
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-[2-[(5-chloro-2-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067182
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066768
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467503
N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273332
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
CID 55167943

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine (CID 103067234) is N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COc1cc(F)ccc1F.
What is the InChIKey of N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is BNJPHSUBHFJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-9(7-16-11-3-4-11)8-17-13-6-10(14)2-5-12(13)15/h2,5-6,11,16H,1,3-4,7-8H2.
What are the key properties of N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 239.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103067234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).