4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine

C13H21NO2 — CID 63986157

IUPAC4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
SMILESCNC(C)CCOc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-11(14-2)7-8-16-13-6-4-5-12(9-13)10-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyFRXSWGHSGGKVJK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds7

About 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine

4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine (PubChem CID 63986157) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
PubChem CID63986157
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
SMILESCNC(C)CCOc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-11(14-2)7-8-16-13-6-4-5-12(9-13)10-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyFRXSWGHSGGKVJK-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-[3-[3-(methoxymethyl)phenoxy]phenyl]-N-methylethanamine
CID 79167488
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63985791
4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
CID 82184802

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine (CID 63986157) is 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine is CNC(C)CCOc1cccc(COC)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine?
The InChIKey is FRXSWGHSGGKVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(14-2)7-8-16-13-6-4-5-12(9-13)10-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3.
What are the key properties of 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine?
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine is sourced from PubChem (CID 63986157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).