3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine

C15H23NO3 — CID 94277490

IUPAC3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESCOc1cc(C)c(C2(CCCN)OCCO2)cc1C
InChIInChI=1S/C15H23NO3/c1-11-10-14(17-3)12(2)9-13(11)15(5-4-6-16)18-7-8-19-15/h9-10H,4-8,16H2,1-3H3
InChIKeyCIHVZLZOQWPQLU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.25
Rot. Bonds5

About 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine

3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine (PubChem CID 94277490) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
PubChem CID94277490
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESCOc1cc(C)c(C2(CCCN)OCCO2)cc1C
InChIInChI=1S/C15H23NO3/c1-11-10-14(17-3)12(2)9-13(11)15(5-4-6-16)18-7-8-19-15/h9-10H,4-8,16H2,1-3H3
InChIKeyCIHVZLZOQWPQLU-UHFFFAOYSA-N
XLogP2.25
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine 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

3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
2-[2-(4-methoxy-3-methylphenyl)-1,3-dioxan-2-yl]ethanamine
CID 82131625
2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 82127880
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261
2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959407
2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
CID 116874500
8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
CID 71601416
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine (CID 94277490) is 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine is COc1cc(C)c(C2(CCCN)OCCO2)cc1C.
What is the InChIKey of 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The InChIKey is CIHVZLZOQWPQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-10-14(17-3)12(2)9-13(11)15(5-4-6-16)18-7-8-19-15/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine is sourced from PubChem (CID 94277490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).