N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine

C17H20N2O2 — CID 63984255

IUPACN-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCc1cccc(Oc2ncccc2CNC2CC2)c1
InChIInChI=1S/C17H20N2O2/c1-20-12-13-4-2-6-16(10-13)21-17-14(5-3-9-18-17)11-19-15-7-8-15/h2-6,9-10,15,19H,7-8,11-12H2,1H3
InChIKeyNLSUESBFAOAVDU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.27
Rot. Bonds7

About N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine

N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 63984255) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID63984255
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCc1cccc(Oc2ncccc2CNC2CC2)c1
InChIInChI=1S/C17H20N2O2/c1-20-12-13-4-2-6-16(10-13)21-17-14(5-3-9-18-17)11-19-15-7-8-15/h2-6,9-10,15,19H,7-8,11-12H2,1H3
InChIKeyNLSUESBFAOAVDU-UHFFFAOYSA-N
XLogP3.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62298280
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
CID 115928514
1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 42518073
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
CID 42522770
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine (CID 63984255) is N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine is COCc1cccc(Oc2ncccc2CNC2CC2)c1.
What is the InChIKey of N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NLSUESBFAOAVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-12-13-4-2-6-16(10-13)21-17-14(5-3-9-18-17)11-19-15-7-8-15/h2-6,9-10,15,19H,7-8,11-12H2,1H3.
What are the key properties of N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 284.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 63984255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).