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

C11H13Cl2NO2 — CID 142628137

IUPAC[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine
SMILESCC1COC(CN)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C11H13Cl2NO2/c1-7-5-15-11(6-14,16-7)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6,14H2,1H3
InChIKeyCBYSFTWPQAMRQD-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.54
Rot. Bonds2

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

[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine (PubChem CID 142628137) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine
PubChem CID142628137
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine
SMILESCC1COC(CN)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C11H13Cl2NO2/c1-7-5-15-11(6-14,16-7)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6,14H2,1H3
InChIKeyCBYSFTWPQAMRQD-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine (CID 142628137) is [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine is CC1COC(CN)(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine?
The InChIKey is CBYSFTWPQAMRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7-5-15-11(6-14,16-7)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine?
[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine has a molecular weight of 262.14 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 142628137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).