N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C17H20N2O2 — CID 81253545

IUPACN-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCOc1cccc(Oc2ccncc2CNC2CC2)c1
InChIInChI=1S/C17H20N2O2/c1-2-20-15-4-3-5-16(10-15)21-17-8-9-18-11-13(17)12-19-14-6-7-14/h3-5,8-11,14,19H,2,6-7,12H2,1H3
InChIKeyCXDWOEOFKRDSMK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds7

About N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81253545) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81253545
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCOc1cccc(Oc2ccncc2CNC2CC2)c1
InChIInChI=1S/C17H20N2O2/c1-2-20-15-4-3-5-16(10-15)21-17-8-9-18-11-13(17)12-19-14-6-7-14/h3-5,8-11,14,19H,2,6-7,12H2,1H3
InChIKeyCXDWOEOFKRDSMK-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250512
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255002
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81254935
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 81250615
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103405852

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 81253545) is N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine is CCOc1cccc(Oc2ccncc2CNC2CC2)c1.
What is the InChIKey of N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CXDWOEOFKRDSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-20-15-4-3-5-16(10-15)21-17-8-9-18-11-13(17)12-19-14-6-7-14/h3-5,8-11,14,19H,2,6-7,12H2,1H3.
What are the key properties of N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 284.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81253545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).