3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine

C18H20N2O2 — CID 154881059

IUPAC3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine
SMILESc1cncc(Oc2cccc(OCC3CN3CC3CC3)c2)c1
InChIInChI=1S/C18H20N2O2/c1-3-16(21-13-15-12-20(15)11-14-6-7-14)9-17(4-1)22-18-5-2-8-19-10-18/h1-5,8-10,14-15H,6-7,11-13H2
InChIKeyCRRUOMRFQSJQTO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.35
Rot. Bonds7

About 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine

3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine (PubChem CID 154881059) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine.

Molecular Properties

Compound Name3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine
PubChem CID154881059
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine
SMILESc1cncc(Oc2cccc(OCC3CN3CC3CC3)c2)c1
InChIInChI=1S/C18H20N2O2/c1-3-16(21-13-15-12-20(15)11-14-6-7-14)9-17(4-1)22-18-5-2-8-19-10-18/h1-5,8-10,14-15H,6-7,11-13H2
InChIKeyCRRUOMRFQSJQTO-UHFFFAOYSA-N
XLogP3.35
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine
CID 154881085
methyl 2-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-2-methylpropanoate
CID 154880807
N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide
CID 154880996
7-bromo-6-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]quinoline
CID 154879817
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54319796
(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
CID 18391712
phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate
CID 154880998
4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154881328
3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 67585202
(1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane
CID 125486372
1-benzyl-2-[(3-chlorophenoxy)methyl]aziridine
CID 86236377

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine?
The IUPAC name of 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine (CID 154881059) is 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine.
What is the SMILES notation for 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine?
The canonical SMILES for 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine is c1cncc(Oc2cccc(OCC3CN3CC3CC3)c2)c1.
What is the InChIKey of 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine?
The InChIKey is CRRUOMRFQSJQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-16(21-13-15-12-20(15)11-14-6-7-14)9-17(4-1)22-18-5-2-8-19-10-18/h1-5,8-10,14-15H,6-7,11-13H2.
What are the key properties of 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine?
3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine is sourced from PubChem (CID 154881059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).