2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine

C11H13Cl2NO2 — CID 28364

IUPAC2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
SMILESCC1(N)COC(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3
InChIKeyRYRMQVSKHWRIGN-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.76
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine

2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine (PubChem CID 28364) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
PubChem CID28364
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
SMILESCC1(N)COC(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3
InChIKeyRYRMQVSKHWRIGN-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine (CID 28364) is 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine is CC1(N)COC(c2ccc(Cl)c(Cl)c2)OC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The InChIKey is RYRMQVSKHWRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine has a molecular weight of 262.14 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine is sourced from PubChem (CID 28364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).