1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine

C16H20N2O2 — CID 63985747

IUPAC1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
SMILESCOCc1cccc(OC(c2ccncc2)C(C)N)c1
InChIInChI=1S/C16H20N2O2/c1-12(17)16(14-6-8-18-9-7-14)20-15-5-3-4-13(10-15)11-19-2/h3-10,12,16H,11,17H2,1-2H3
InChIKeyXMTALWBUVQJDKC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.70
Rot. Bonds6

About 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine

1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine (PubChem CID 63985747) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
PubChem CID63985747
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
SMILESCOCc1cccc(OC(c2ccncc2)C(C)N)c1
InChIInChI=1S/C16H20N2O2/c1-12(17)16(14-6-8-18-9-7-14)20-15-5-3-4-13(10-15)11-19-2/h3-10,12,16H,11,17H2,1-2H3
InChIKeyXMTALWBUVQJDKC-UHFFFAOYSA-N
XLogP2.70
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
4-[1-(3-ethylphenoxy)ethyl]pyridine
CID 70911027
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
1-(3-bromo-5-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 81321859
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
CID 80605254

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine (CID 63985747) is 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine is COCc1cccc(OC(c2ccncc2)C(C)N)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine?
The InChIKey is XMTALWBUVQJDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(17)16(14-6-8-18-9-7-14)20-15-5-3-4-13(10-15)11-19-2/h3-10,12,16H,11,17H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine?
1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 63985747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).