2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine

C14H21NO3 — CID 115005127

IUPAC2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OC1CCOC1
InChIInChI=1S/C14H21NO3/c1-10(8-15)11-3-4-13(14(7-11)16-2)18-12-5-6-17-9-12/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3
InChIKeyUBDCUNDWZUBYSP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.93
Rot. Bonds5

About 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine

2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine (PubChem CID 115005127) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
PubChem CID115005127
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OC1CCOC1
InChIInChI=1S/C14H21NO3/c1-10(8-15)11-3-4-13(14(7-11)16-2)18-12-5-6-17-9-12/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3
InChIKeyUBDCUNDWZUBYSP-UHFFFAOYSA-N
XLogP1.93
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
3-amino-2-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117475989

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine (CID 115005127) is 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine is COc1cc(C(C)CN)ccc1OC1CCOC1.
What is the InChIKey of 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is UBDCUNDWZUBYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(8-15)11-3-4-13(14(7-11)16-2)18-12-5-6-17-9-12/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 115005127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).