N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine

C16H15F2NO — CID 43283164

IUPACN-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2ccc(CNC3CC3)cc2F)cc1
InChIInChI=1S/C16H15F2NO/c17-12-2-6-14(7-3-12)20-16-8-1-11(9-15(16)18)10-19-13-4-5-13/h1-3,6-9,13,19H,4-5,10H2
InChIKeyFYBHVCUJHCIULL-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.01
Rot. Bonds5

About N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43283164) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43283164
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2ccc(CNC3CC3)cc2F)cc1
InChIInChI=1S/C16H15F2NO/c17-12-2-6-14(7-3-12)20-16-8-1-11(9-15(16)18)10-19-13-4-5-13/h1-3,6-9,13,19H,4-5,10H2
InChIKeyFYBHVCUJHCIULL-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 62072927
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-(4-bromophenoxy)-3-chlorophenyl]methyl]cyclopropanamine
CID 81155198
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine (CID 43283164) is N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine is Fc1ccc(Oc2ccc(CNC3CC3)cc2F)cc1.
What is the InChIKey of N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is FYBHVCUJHCIULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-12-2-6-14(7-3-12)20-16-8-1-11(9-15(16)18)10-19-13-4-5-13/h1-3,6-9,13,19H,4-5,10H2.
What are the key properties of N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 275.30 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43283164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).