[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine

C12H17NO3 — CID 103565975

IUPAC[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(OC2CCOC2)c1
InChIInChI=1S/C12H17NO3/c1-14-11-4-9(7-13)5-12(6-11)16-10-2-3-15-8-10/h4-6,10H,2-3,7-8,13H2,1H3
InChIKeyYZCHSULYMFMTPZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.32
Rot. Bonds4

About [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine

[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine (PubChem CID 103565975) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine
PubChem CID103565975
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(OC2CCOC2)c1
InChIInChI=1S/C12H17NO3/c1-14-11-4-9(7-13)5-12(6-11)16-10-2-3-15-8-10/h4-6,10H,2-3,7-8,13H2,1H3
InChIKeyYZCHSULYMFMTPZ-UHFFFAOYSA-N
XLogP1.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine (CID 103565975) is [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine is COc1cc(CN)cc(OC2CCOC2)c1.
What is the InChIKey of [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine?
The InChIKey is YZCHSULYMFMTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-11-4-9(7-13)5-12(6-11)16-10-2-3-15-8-10/h4-6,10H,2-3,7-8,13H2,1H3.
What are the key properties of [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine?
[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine has a molecular weight of 223.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine is sourced from PubChem (CID 103565975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).