1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C17H27NO2 — CID 65156222

IUPAC1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(OC)c(C)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27NO2/c1-10-9-14(7-8-15(10)19-6)17(18-5)16-11(2)12(3)20-13(16)4/h7-9,11-13,16-18H,1-6H3
InChIKeyQYJSLQUCGLCHSI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156222) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156222
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(OC)c(C)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27NO2/c1-10-9-14(7-8-15(10)19-6)17(18-5)16-11(2)12(3)20-13(16)4/h7-9,11-13,16-18H,1-6H3
InChIKeyQYJSLQUCGLCHSI-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115785256
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105013524
N-methyl-1-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115850959
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 116950716
1-(4-methoxy-3-methylphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951339
1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105051346
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156490
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160656
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156222) is 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1ccc(OC)c(C)c1)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is QYJSLQUCGLCHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-10-9-14(7-8-15(10)19-6)17(18-5)16-11(2)12(3)20-13(16)4/h7-9,11-13,16-18H,1-6H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).