3-[3-(methoxymethyl)phenoxy]butan-2-amine

C12H19NO2 — CID 63985757

IUPAC3-[3-(methoxymethyl)phenoxy]butan-2-amine
SMILESCOCc1cccc(OC(C)C(C)N)c1
InChIInChI=1S/C12H19NO2/c1-9(13)10(2)15-12-6-4-5-11(7-12)8-14-3/h4-7,9-10H,8,13H2,1-3H3
InChIKeyYHHCHXNRGLTSCW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.95
Rot. Bonds5

About 3-[3-(methoxymethyl)phenoxy]butan-2-amine

3-[3-(methoxymethyl)phenoxy]butan-2-amine (PubChem CID 63985757) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]butan-2-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]butan-2-amine
PubChem CID63985757
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[3-(methoxymethyl)phenoxy]butan-2-amine
SMILESCOCc1cccc(OC(C)C(C)N)c1
InChIInChI=1S/C12H19NO2/c1-9(13)10(2)15-12-6-4-5-11(7-12)8-14-3/h4-7,9-10H,8,13H2,1-3H3
InChIKeyYHHCHXNRGLTSCW-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
CID 63985747
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
2-[3-(methoxymethyl)phenoxy]-N-methyl-1-phenylpropan-1-amine
CID 63984967
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]butan-2-amine?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]butan-2-amine (CID 63985757) is 3-[3-(methoxymethyl)phenoxy]butan-2-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]butan-2-amine?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]butan-2-amine is COCc1cccc(OC(C)C(C)N)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]butan-2-amine?
The InChIKey is YHHCHXNRGLTSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(13)10(2)15-12-6-4-5-11(7-12)8-14-3/h4-7,9-10H,8,13H2,1-3H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]butan-2-amine?
3-[3-(methoxymethyl)phenoxy]butan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]butan-2-amine is sourced from PubChem (CID 63985757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).