N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine

C16H14F3NO — CID 106533424

IUPACN-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F3NO/c17-11-5-10(9-20-12-1-2-12)6-14(7-11)21-13-3-4-15(18)16(19)8-13/h3-8,12,20H,1-2,9H2
InChIKeyWFQAPUVKXKDURT-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.15
Rot. Bonds5

About N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine

N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 106533424) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID106533424
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F3NO/c17-11-5-10(9-20-12-1-2-12)6-14(7-11)21-13-3-4-15(18)16(19)8-13/h3-8,12,20H,1-2,9H2
InChIKeyWFQAPUVKXKDURT-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533566
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533506

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine (CID 106533424) is N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(Oc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is WFQAPUVKXKDURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-11-5-10(9-20-12-1-2-12)6-14(7-11)21-13-3-4-15(18)16(19)8-13/h3-8,12,20H,1-2,9H2.
What are the key properties of N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 293.29 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).