N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

C17H19FN2O — CID 106908716

IUPACN-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1OCc1cccc(CNC2CC2)n1
InChIInChI=1S/C17H19FN2O/c1-12-5-6-13(18)9-17(12)21-11-16-4-2-3-15(20-16)10-19-14-7-8-14/h2-6,9,14,19H,7-8,10-11H2,1H3
InChIKeyMGBDJNVBMCFURQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.36
Rot. Bonds6

About N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106908716) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106908716
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1OCc1cccc(CNC2CC2)n1
InChIInChI=1S/C17H19FN2O/c1-12-5-6-13(18)9-17(12)21-11-16-4-2-3-15(20-16)10-19-14-7-8-14/h2-6,9,14,19H,7-8,10-11H2,1H3
InChIKeyMGBDJNVBMCFURQ-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 102986776
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908528
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986704
1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908545
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106908716) is N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(F)cc1OCc1cccc(CNC2CC2)n1.
What is the InChIKey of N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MGBDJNVBMCFURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-5-6-13(18)9-17(12)21-11-16-4-2-3-15(20-16)10-19-14-7-8-14/h2-6,9,14,19H,7-8,10-11H2,1H3.
What are the key properties of N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 286.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106908716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).