[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

C15H23NO3 — CID 82122630

IUPAC[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc(C(C)C)cc1C1(C)OCC(CN)O1
InChIInChI=1S/C15H23NO3/c1-10(2)11-5-6-14(17-4)13(7-11)15(3)18-9-12(8-16)19-15/h5-7,10,12H,8-9,16H2,1-4H3
InChIKeySHQWTUREZCRICO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds4

About [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 82122630) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
PubChem CID82122630
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc(C(C)C)cc1C1(C)OCC(CN)O1
InChIInChI=1S/C15H23NO3/c1-10(2)11-5-6-14(17-4)13(7-11)15(3)18-9-12(8-16)19-15/h5-7,10,12H,8-9,16H2,1-4H3
InChIKeySHQWTUREZCRICO-UHFFFAOYSA-N
XLogP2.37
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82117511
[2-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82124722
2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
CID 82131495
[2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82119202
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
[(2S,4S)-2-methyl-2-(4-propan-2-ylphenyl)-1,3-dioxolan-4-yl]methyl carbamate
CID 21128707
[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine
CID 82119208
1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842284
4-(chloromethyl)-2-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82775842
4-[4-(aminomethyl)-2-methyl-1,3-dioxolan-2-yl]-N,N-dimethylbenzenesulfonamide
CID 82776625
N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519191
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (CID 82122630) is [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is COc1ccc(C(C)C)cc1C1(C)OCC(CN)O1.
What is the InChIKey of [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is SHQWTUREZCRICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)11-5-6-14(17-4)13(7-11)15(3)18-9-12(8-16)19-15/h5-7,10,12H,8-9,16H2,1-4H3.
What are the key properties of [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82122630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).