N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine

C15H19F2NO2 — CID 107134472

IUPACN-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1OC1CCCOC1
InChIInChI=1S/C15H19F2NO2/c16-13-6-10(8-18-11-3-4-11)7-14(17)15(13)20-12-2-1-5-19-9-12/h6-7,11-12,18H,1-5,8-9H2
InChIKeyFEUXELWSKMDENB-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.77
Rot. Bonds5

About N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine

N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine (PubChem CID 107134472) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
PubChem CID107134472
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1OC1CCCOC1
InChIInChI=1S/C15H19F2NO2/c16-13-6-10(8-18-11-3-4-11)7-14(17)15(13)20-12-2-1-5-19-9-12/h6-7,11-12,18H,1-5,8-9H2
InChIKeyFEUXELWSKMDENB-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
N-[[3-bromo-5-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63557340
3,5-difluoro-2-(oxan-3-yloxy)aniline
CID 166931502
N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134560
(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
CID 121407954
N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 79892393
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553
1-[3-bromo-5-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107134312
N-[[3,5-difluoro-4-(oxetan-3-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 79333217
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
CID 107689071

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine (CID 107134472) is N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(F)c1OC1CCCOC1.
What is the InChIKey of N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine?
The InChIKey is FEUXELWSKMDENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-13-6-10(8-18-11-3-4-11)7-14(17)15(13)20-12-2-1-5-19-9-12/h6-7,11-12,18H,1-5,8-9H2.
What are the key properties of N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine?
N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine has a molecular weight of 283.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107134472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).