N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine

C17H17F2NO — CID 107659574

IUPACN-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2ccc(CNC3CC3)cc2F)c1F
InChIInChI=1S/C17H17F2NO/c1-11-3-2-4-16(17(11)19)21-15-8-5-12(9-14(15)18)10-20-13-6-7-13/h2-5,8-9,13,20H,6-7,10H2,1H3
InChIKeyPSBOHDSUYXLENK-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.32
Rot. Bonds5

About N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 107659574) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID107659574
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2ccc(CNC3CC3)cc2F)c1F
InChIInChI=1S/C17H17F2NO/c1-11-3-2-4-16(17(11)19)21-15-8-5-12(9-14(15)18)10-20-13-6-7-13/h2-5,8-9,13,20H,6-7,10H2,1H3
InChIKeyPSBOHDSUYXLENK-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 62072927
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406552
N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550904
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine (CID 107659574) is N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine is Cc1cccc(Oc2ccc(CNC3CC3)cc2F)c1F.
What is the InChIKey of N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is PSBOHDSUYXLENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11-3-2-4-16(17(11)19)21-15-8-5-12(9-14(15)18)10-20-13-6-7-13/h2-5,8-9,13,20H,6-7,10H2,1H3.
What are the key properties of N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 289.33 g/mol, XLogP of 4.32, 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-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107659574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).