[4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine

C13H19NO3 — CID 82024462

IUPAC[4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine
SMILESCCOc1ccc(C2COC(C)(CN)O2)cc1
InChIInChI=1S/C13H19NO3/c1-3-15-11-6-4-10(5-7-11)12-8-16-13(2,9-14)17-12/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyFWUYMBJKEIMCKP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.85
Rot. Bonds4

About [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine

[4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine (PubChem CID 82024462) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine
PubChem CID82024462
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine
SMILESCCOc1ccc(C2COC(C)(CN)O2)cc1
InChIInChI=1S/C13H19NO3/c1-3-15-11-6-4-10(5-7-11)12-8-16-13(2,9-14)17-12/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyFWUYMBJKEIMCKP-UHFFFAOYSA-N
XLogP1.85
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine (CID 82024462) is [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine is CCOc1ccc(C2COC(C)(CN)O2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine?
The InChIKey is FWUYMBJKEIMCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-15-11-6-4-10(5-7-11)12-8-16-13(2,9-14)17-12/h4-7,12H,3,8-9,14H2,1-2H3.
What are the key properties of [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine?
[4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 82024462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).