N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine

C13H19FN2O — CID 114035526

IUPACN-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)COc1ncc(F)cc1CNC1CC1
InChIInChI=1S/C13H19FN2O/c1-9(2)8-17-13-10(5-11(14)7-16-13)6-15-12-3-4-12/h5,7,9,12,15H,3-4,6,8H2,1-2H3
InChIKeyDQQSVVXOLGYYTJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.51
Rot. Bonds6

About N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 114035526) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID114035526
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)COc1ncc(F)cc1CNC1CC1
InChIInChI=1S/C13H19FN2O/c1-9(2)8-17-13-10(5-11(14)7-16-13)6-15-12-3-4-12/h5,7,9,12,15H,3-4,6,8H2,1-2H3
InChIKeyDQQSVVXOLGYYTJ-UHFFFAOYSA-N
XLogP2.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
CID 114035538
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 114035738
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66275528
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 83129453
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 114035526) is N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine is CC(C)COc1ncc(F)cc1CNC1CC1.
What is the InChIKey of N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DQQSVVXOLGYYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)8-17-13-10(5-11(14)7-16-13)6-15-12-3-4-12/h5,7,9,12,15H,3-4,6,8H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 238.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114035526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).