N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

C16H16F2N2O — CID 105402634

IUPACN-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(COc2ccc(CNC3CC3)nc2)c1
InChIInChI=1S/C16H16F2N2O/c17-12-5-11(6-13(18)7-12)10-21-16-4-3-15(20-9-16)8-19-14-1-2-14/h3-7,9,14,19H,1-2,8,10H2
InChIKeyWOKYWZYANNKLRS-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.19
Rot. Bonds6

About N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 105402634) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID105402634
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(COc2ccc(CNC3CC3)nc2)c1
InChIInChI=1S/C16H16F2N2O/c17-12-5-11(6-13(18)7-12)10-21-16-4-3-15(20-9-16)8-19-14-1-2-14/h3-7,9,14,19H,1-2,8,10H2
InChIKeyWOKYWZYANNKLRS-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105402628
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 105402630
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79781522
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783252
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 107041521
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (CID 105402634) is N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is Fc1cc(F)cc(COc2ccc(CNC3CC3)nc2)c1.
What is the InChIKey of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is WOKYWZYANNKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-5-11(6-13(18)7-12)10-21-16-4-3-15(20-9-16)8-19-14-1-2-14/h3-7,9,14,19H,1-2,8,10H2.
What are the key properties of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 290.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105402634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).