1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine

C15H23NO3 — CID 103132869

IUPAC1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCC2CCC(C)O2)c1
InChIInChI=1S/C15H23NO3/c1-11-4-6-13(19-11)10-18-15-8-12(9-16-2)5-7-14(15)17-3/h5,7-8,11,13,16H,4,6,9-10H2,1-3H3
InChIKeyVNLMNWMBPJPMDM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds6

About 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 103132869) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID103132869
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCC2CCC(C)O2)c1
InChIInChI=1S/C15H23NO3/c1-11-4-6-13(19-11)10-18-15-8-12(9-16-2)5-7-14(15)17-3/h5,7-8,11,13,16H,4,6,9-10H2,1-3H3
InChIKeyVNLMNWMBPJPMDM-UHFFFAOYSA-N
XLogP2.36
TPSA39.72 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132805
1-[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 79172273
1-[3-methoxy-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136595
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 103132869) is 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(OCC2CCC(C)O2)c1.
What is the InChIKey of 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is VNLMNWMBPJPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-4-6-13(19-11)10-18-15-8-12(9-16-2)5-7-14(15)17-3/h5,7-8,11,13,16H,4,6,9-10H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 103132869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).