N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

C13H20ClN3O — CID 102740579

IUPACN-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCNCc1cnc(OCCN(C)C2CC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-15-8-10-7-12(14)13(16-9-10)18-6-5-17(2)11-3-4-11/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyLNFZFDHEBLHULT-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.93
Rot. Bonds7

About N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740579) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740579
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCNCc1cnc(OCCN(C)C2CC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-15-8-10-7-12(14)13(16-9-10)18-6-5-17(2)11-3-4-11/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyLNFZFDHEBLHULT-UHFFFAOYSA-N
XLogP1.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine with MolForge

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Related Compounds

1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
N-[2-[[6-ethyl-4-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740562
1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 62291222
3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
CID 62279711
1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 62281867
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
N-[2-[4-(chloromethyl)isoquinolin-1-yl]oxyethyl]-N-methylcyclopropanamine
CID 102740457
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine
CID 114221377

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (CID 102740579) is N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is CNCc1cnc(OCCN(C)C2CC2)c(Cl)c1.
What is the InChIKey of N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is LNFZFDHEBLHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-15-8-10-7-12(14)13(16-9-10)18-6-5-17(2)11-3-4-11/h7,9,11,15H,3-6,8H2,1-2H3.
What are the key properties of N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 269.78 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).