1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine

C17H27NO3 — CID 114621099

IUPAC1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC2CC(C)(C)OC2(C)C)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-16(2)10-15(17(3,4)21-16)20-13-8-7-12(11-18-5)9-14(13)19-6/h7-9,15,18H,10-11H2,1-6H3
InChIKeyWLINRSAYLFXABF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.14
Rot. Bonds5

About 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine

1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 114621099) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
PubChem CID114621099
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC2CC(C)(C)OC2(C)C)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-16(2)10-15(17(3,4)21-16)20-13-8-7-12(11-18-5)9-14(13)19-6/h7-9,15,18H,10-11H2,1-6H3
InChIKeyWLINRSAYLFXABF-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
CID 114621141
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
3-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]-2,2,5,5-tetramethyloxolane
CID 114621665
[3-bromo-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
CID 114621116
bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 174695660
5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 114621017
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
CID 107098657
1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
CID 114621180
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine (CID 114621099) is 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine is CNCc1ccc(OC2CC(C)(C)OC2(C)C)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is WLINRSAYLFXABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2)10-15(17(3,4)21-16)20-13-8-7-12(11-18-5)9-14(13)19-6/h7-9,15,18H,10-11H2,1-6H3.
What are the key properties of 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine?
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 114621099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).