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

C17H27NO3 — CID 105013524

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(OC)cc(OC)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27NO3/c1-10-11(2)21-12(3)16(10)17(18-4)13-7-14(19-5)9-15(8-13)20-6/h7-12,16-18H,1-6H3
InChIKeyCHUQYLXYDJRJJU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.02
Rot. Bonds5

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

1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105013524) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105013524
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(OC)cc(OC)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27NO3/c1-10-11(2)21-12(3)16(10)17(18-4)13-7-14(19-5)9-15(8-13)20-6/h7-12,16-18H,1-6H3
InChIKeyCHUQYLXYDJRJJU-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115785256
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156222
N-methyl-1-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115850959
1-(4-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154809
1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105051346
1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105018466
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154515
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156490
(2-fluoro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65158185
[(5-chloro-2-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105300931
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105047272
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106785515

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105013524) is 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1cc(OC)cc(OC)c1)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is CHUQYLXYDJRJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-10-11(2)21-12(3)16(10)17(18-4)13-7-14(19-5)9-15(8-13)20-6/h7-12,16-18H,1-6H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 293.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105013524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).