1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

C16H25NO2 — CID 105032819

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(C)c(OC)cc1C)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-10-6-7-19-16(10)15(17-4)13-8-12(3)14(18-5)9-11(13)2/h8-10,15-17H,6-7H2,1-5H3
InChIKeyZCLGFJLCNDLBQR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (PubChem CID 105032819) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
PubChem CID105032819
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(C)c(OC)cc1C)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-10-6-7-19-16(10)15(17-4)13-8-12(3)14(18-5)9-11(13)2/h8-10,15-17H,6-7H2,1-5H3
InChIKeyZCLGFJLCNDLBQR-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105033003
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105032916
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105047047
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105048203
(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 105032948
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
N-methyl-1-(3-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991316
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
CID 105035833
[cyclooctyl-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105255236
[6-bicyclo[3.1.0]hexanyl-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105333015

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (CID 105032819) is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is CNC(c1cc(C)c(OC)cc1C)C1OCCC1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The InChIKey is ZCLGFJLCNDLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-6-7-19-16(10)15(17-4)13-8-12(3)14(18-5)9-11(13)2/h8-10,15-17H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105032819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).