N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

C15H23NO3 — CID 106658503

IUPACN-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1c(C)ccc(NC2COC(C)(C)OC2)c1C
InChIInChI=1S/C15H23NO3/c1-10-6-7-13(11(2)14(10)17-5)16-12-8-18-15(3,4)19-9-12/h6-7,12,16H,8-9H2,1-5H3
InChIKeySCZMGGANBTXGBL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.88
Rot. Bonds3

About N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658503) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658503
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1c(C)ccc(NC2COC(C)(C)OC2)c1C
InChIInChI=1S/C15H23NO3/c1-10-6-7-13(11(2)14(10)17-5)16-12-8-18-15(3,4)19-9-12/h6-7,12,16H,8-9H2,1-5H3
InChIKeySCZMGGANBTXGBL-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658503) is N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is COc1c(C)ccc(NC2COC(C)(C)OC2)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is SCZMGGANBTXGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-7-13(11(2)14(10)17-5)16-12-8-18-15(3,4)19-9-12/h6-7,12,16H,8-9H2,1-5H3.
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 265.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).