1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine

C16H25NO3 — CID 62385912

IUPAC1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCC2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-12(17)9-14-3-4-15(18-2)10-16(14)20-11-13-5-7-19-8-6-13/h3-4,10,12-13H,5-9,11,17H2,1-2H3
InChIKeyDSIXSOQQVSBBAE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.39
Rot. Bonds6

About 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine

1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine (PubChem CID 62385912) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
PubChem CID62385912
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCC2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-12(17)9-14-3-4-15(18-2)10-16(14)20-11-13-5-7-19-8-6-13/h3-4,10,12-13H,5-9,11,17H2,1-2H3
InChIKeyDSIXSOQQVSBBAE-UHFFFAOYSA-N
XLogP2.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62385101
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
3-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]oxolane
CID 54976947
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine (CID 62385912) is 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine is COc1ccc(CC(C)N)c(OCC2CCOCC2)c1.
What is the InChIKey of 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is DSIXSOQQVSBBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(17)9-14-3-4-15(18-2)10-16(14)20-11-13-5-7-19-8-6-13/h3-4,10,12-13H,5-9,11,17H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62385912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).