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

C15H23NO2 — CID 103435403

IUPAC(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCOc1c(C(N)C2OCCC2C)ccc(C)c1C
InChIInChI=1S/C15H23NO2/c1-9-5-6-12(15(17-4)11(9)3)13(16)14-10(2)7-8-18-14/h5-6,10,13-14H,7-8,16H2,1-4H3
InChIKeyNKIFHVAZRTVQMF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds3

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

(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 103435403) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
PubChem CID103435403
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCOc1c(C(N)C2OCCC2C)ccc(C)c1C
InChIInChI=1S/C15H23NO2/c1-9-5-6-12(15(17-4)11(9)3)13(16)14-10(2)7-8-18-14/h5-6,10,13-14H,7-8,16H2,1-4H3
InChIKeyNKIFHVAZRTVQMF-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

Analyze (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105033003
(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
CID 131145604
(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433606
(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 103435508
2,3-dihydro-1H-inden-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433624
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 107516672
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433840
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 103433591
[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435988

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine (CID 103435403) is (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine is COc1c(C(N)C2OCCC2C)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is NKIFHVAZRTVQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-5-6-12(15(17-4)11(9)3)13(16)14-10(2)7-8-18-14/h5-6,10,13-14H,7-8,16H2,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine?
(2-methoxy-3,4-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 (2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 103435403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).