N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine

C14H21NO2 — CID 174187467

IUPACN,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine
SMILESCCN(CC)C1(COc2ccc(C)cc2)CO1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)14(11-17-14)10-16-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWDPIHTILJCPWTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds6

About N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine

N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine (PubChem CID 174187467) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine
PubChem CID174187467
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine
SMILESCCN(CC)C1(COc2ccc(C)cc2)CO1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)14(11-17-14)10-16-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWDPIHTILJCPWTJ-UHFFFAOYSA-N
XLogP2.44
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
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

2-[(4-butoxyphenoxy)methyl]-2-methyloxirane
CID 88976986
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
N-[4-[4-(N-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-propylphenyl)aniline
CID 143613681
[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol
CID 66334764
ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
CID 143919319
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 70620715
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane
CID 66336733

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine?
The IUPAC name of N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine (CID 174187467) is N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine.
What is the SMILES notation for N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine?
The canonical SMILES for N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine is CCN(CC)C1(COc2ccc(C)cc2)CO1.
What is the InChIKey of N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine?
The InChIKey is WDPIHTILJCPWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)14(11-17-14)10-16-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine?
N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine is sourced from PubChem (CID 174187467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).