N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine

C17H20N2O — CID 62292133

IUPACN-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(Oc1cccc(CNC2CC2)n1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(14-6-3-2-4-7-14)20-17-9-5-8-16(19-17)12-18-15-10-11-15/h2-9,13,15,18H,10-12H2,1H3
InChIKeyXXEWETYSPFSHRP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds6

About N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62292133) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62292133
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(Oc1cccc(CNC2CC2)n1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(14-6-3-2-4-7-14)20-17-9-5-8-16(19-17)12-18-15-10-11-15/h2-9,13,15,18H,10-12H2,1H3
InChIKeyXXEWETYSPFSHRP-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62290331
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 102740583
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62292133) is N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine is CC(Oc1cccc(CNC2CC2)n1)c1ccccc1.
What is the InChIKey of N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XXEWETYSPFSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(14-6-3-2-4-7-14)20-17-9-5-8-16(19-17)12-18-15-10-11-15/h2-9,13,15,18H,10-12H2,1H3.
What are the key properties of N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62292133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).