3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine

C15H23NO3 — CID 117417553

IUPAC3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
SMILESCOc1cccc(C(C)CCN)c1OC1CCOC1
InChIInChI=1S/C15H23NO3/c1-11(6-8-16)13-4-3-5-14(17-2)15(13)19-12-7-9-18-10-12/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyRZEDYRQHNFNGFB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.32
Rot. Bonds6

About 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine

3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine (PubChem CID 117417553) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
PubChem CID117417553
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
SMILESCOc1cccc(C(C)CCN)c1OC1CCOC1
InChIInChI=1S/C15H23NO3/c1-11(6-8-16)13-4-3-5-14(17-2)15(13)19-12-7-9-18-10-12/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyRZEDYRQHNFNGFB-UHFFFAOYSA-N
XLogP2.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
CID 117413737
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine?
The IUPAC name of 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine (CID 117417553) is 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine.
What is the SMILES notation for 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine?
The canonical SMILES for 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine is COc1cccc(C(C)CCN)c1OC1CCOC1.
What is the InChIKey of 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine?
The InChIKey is RZEDYRQHNFNGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(6-8-16)13-4-3-5-14(17-2)15(13)19-12-7-9-18-10-12/h3-5,11-12H,6-10,16H2,1-2H3.
What are the key properties of 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine?
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine is sourced from PubChem (CID 117417553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).