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

C15H23NO2 — CID 105033003

IUPAC(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCOc1cc(C)c(C(N)C2OCCC2C)cc1C
InChIInChI=1S/C15H23NO2/c1-9-5-6-18-15(9)14(16)12-7-11(3)13(17-4)8-10(12)2/h7-9,14-15H,5-6,16H2,1-4H3
InChIKeyXIXBHUJNFLCAOD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds3

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

(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 105033003) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
PubChem CID105033003
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCOc1cc(C)c(C(N)C2OCCC2C)cc1C
InChIInChI=1S/C15H23NO2/c1-9-5-6-18-15(9)14(16)12-7-11(3)13(17-4)8-10(12)2/h7-9,14-15H,5-6,16H2,1-4H3
InChIKeyXIXBHUJNFLCAOD-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 105032948
(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 103435403
(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
CID 131145604
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
CID 105048076
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105032916
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
2-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-3-methyloxolane
CID 115484908
(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol
CID 113319534
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 103547609

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine (CID 105033003) is (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine is COc1cc(C)c(C(N)C2OCCC2C)cc1C.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is XIXBHUJNFLCAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-5-6-18-15(9)14(16)12-7-11(3)13(17-4)8-10(12)2/h7-9,14-15H,5-6,16H2,1-4H3.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105033003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).