N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine

C16H16FNO — CID 43283337

IUPACN-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cccc(Oc2ccccc2CNC2CC2)c1
InChIInChI=1S/C16H16FNO/c17-13-5-3-6-15(10-13)19-16-7-2-1-4-12(16)11-18-14-8-9-14/h1-7,10,14,18H,8-9,11H2
InChIKeyDGCHLPGRGNFFBI-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.87
Rot. Bonds5

About N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine

N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43283337) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43283337
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cccc(Oc2ccccc2CNC2CC2)c1
InChIInChI=1S/C16H16FNO/c17-13-5-3-6-15(10-13)19-16-7-2-1-4-12(16)11-18-14-8-9-14/h1-7,10,14,18H,8-9,11H2
InChIKeyDGCHLPGRGNFFBI-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 65201369
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43283536
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391271
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine (CID 43283337) is N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine is Fc1cccc(Oc2ccccc2CNC2CC2)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is DGCHLPGRGNFFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-5-3-6-15(10-13)19-16-7-2-1-4-12(16)11-18-14-8-9-14/h1-7,10,14,18H,8-9,11H2.
What are the key properties of N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 257.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43283337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).