N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine

C12H17NO2 — CID 142440877

IUPACN,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1C1CO1
InChIInChI=1S/C12H17NO2/c1-13(2)7-8-14-11-6-4-3-5-10(11)12-9-15-12/h3-6,12H,7-9H2,1-2H3
InChIKeyYAGRRGVGQQUOKZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.70
Rot. Bonds5

About N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine

N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine (PubChem CID 142440877) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine
PubChem CID142440877
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1C1CO1
InChIInChI=1S/C12H17NO2/c1-13(2)7-8-14-11-6-4-3-5-10(11)12-9-15-12/h3-6,12H,7-9H2,1-2H3
InChIKeyYAGRRGVGQQUOKZ-UHFFFAOYSA-N
XLogP1.70
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(dimethylamino)ethoxy]phenyl]-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
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2-[2,3-bis(methoxymethoxy)phenyl]oxirane
CID 18753114
N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
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(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
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N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
2-[2-(1,3-dioxolan-2-yl)phenoxy]ethanol
CID 170873933
2-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl]oxy]-N,N-dimethylethanamine;hydrochloride
CID 70036034
N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
CID 82732858
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CID 20990391
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
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CID 2184471

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine (CID 142440877) is N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine is CN(C)CCOc1ccccc1C1CO1.
What is the InChIKey of N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine?
The InChIKey is YAGRRGVGQQUOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13(2)7-8-14-11-6-4-3-5-10(11)12-9-15-12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine?
N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine is sourced from PubChem (CID 142440877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).