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

C11H14ClNO2 — CID 28333

IUPAC2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine
SMILESCC1(N)COC(c2ccc(Cl)cc2)OC1
InChIInChI=1S/C11H14ClNO2/c1-11(13)6-14-10(15-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3
InChIKeyBZYJWUQKCNWTLG-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.10
Rot. Bonds1

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

2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine (PubChem CID 28333) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine
PubChem CID28333
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine
SMILESCC1(N)COC(c2ccc(Cl)cc2)OC1
InChIInChI=1S/C11H14ClNO2/c1-11(13)6-14-10(15-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3
InChIKeyBZYJWUQKCNWTLG-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine (CID 28333) is 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine is CC1(N)COC(c2ccc(Cl)cc2)OC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The InChIKey is BZYJWUQKCNWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(13)6-14-10(15-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine?
2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine has a molecular weight of 227.69 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-amine is sourced from PubChem (CID 28333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).