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

C17H18FNO — CID 107659667

IUPACN-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2ccccc2CNC2CC2)c1F
InChIInChI=1S/C17H18FNO/c1-12-5-4-8-16(17(12)18)20-15-7-3-2-6-13(15)11-19-14-9-10-14/h2-8,14,19H,9-11H2,1H3
InChIKeyHOZAKJJMHKFELG-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.18
Rot. Bonds5

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

N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 107659667) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID107659667
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2ccccc2CNC2CC2)c1F
InChIInChI=1S/C17H18FNO/c1-12-5-4-8-16(17(12)18)20-15-7-3-2-6-13(15)11-19-14-9-10-14/h2-8,14,19H,9-11H2,1H3
InChIKeyHOZAKJJMHKFELG-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 65201369
N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550904
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 107661295
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine (CID 107659667) is N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine is Cc1cccc(Oc2ccccc2CNC2CC2)c1F.
What is the InChIKey of N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is HOZAKJJMHKFELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-4-8-16(17(12)18)20-15-7-3-2-6-13(15)11-19-14-9-10-14/h2-8,14,19H,9-11H2,1H3.
What are the key properties of N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 271.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107659667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).