3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine

C20H25NO3 — CID 123224666

IUPAC3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine
SMILESCNC1OC1C(OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C20H25NO3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)18(22-4)19-20(21-3)24-19/h5-11,18-21H,12H2,1-4H3
InChIKeyALFDAJFFELPKHC-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.51
Rot. Bonds7

About 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine

3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine (PubChem CID 123224666) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine.

Molecular Properties

Compound Name3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine
PubChem CID123224666
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine
SMILESCNC1OC1C(OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C20H25NO3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)18(22-4)19-20(21-3)24-19/h5-11,18-21H,12H2,1-4H3
InChIKeyALFDAJFFELPKHC-UHFFFAOYSA-N
XLogP3.51
TPSA43.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113511
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
2-[[2-(dipropoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069161
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069190
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine?
The IUPAC name of 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine (CID 123224666) is 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine.
What is the SMILES notation for 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine?
The canonical SMILES for 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine is CNC1OC1C(OC)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine?
The InChIKey is ALFDAJFFELPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)18(22-4)19-20(21-3)24-19/h5-11,18-21H,12H2,1-4H3.
What are the key properties of 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine?
3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine has a molecular weight of 327.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine is sourced from PubChem (CID 123224666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).