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

C14H21NO3 — CID 115005123

IUPAC3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1cc(CCCN)ccc1OC1CCOC1
InChIInChI=1S/C14H21NO3/c1-16-14-9-11(3-2-7-15)4-5-13(14)18-12-6-8-17-10-12/h4-5,9,12H,2-3,6-8,10,15H2,1H3
InChIKeyAPWGRDODYZEVMQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.75
Rot. Bonds6

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

3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine (PubChem CID 115005123) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
PubChem CID115005123
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1cc(CCCN)ccc1OC1CCOC1
InChIInChI=1S/C14H21NO3/c1-16-14-9-11(3-2-7-15)4-5-13(14)18-12-6-8-17-10-12/h4-5,9,12H,2-3,6-8,10,15H2,1H3
InChIKeyAPWGRDODYZEVMQ-UHFFFAOYSA-N
XLogP1.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420008
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
CID 117470870
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
3-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]propan-1-amine
CID 117459739
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine (CID 115005123) is 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine is COc1cc(CCCN)ccc1OC1CCOC1.
What is the InChIKey of 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is APWGRDODYZEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-14-9-11(3-2-7-15)4-5-13(14)18-12-6-8-17-10-12/h4-5,9,12H,2-3,6-8,10,15H2,1H3.
What are the key properties of 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 115005123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).