2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine

C16H25NO3 — CID 106658628

IUPAC2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
SMILESCc1cc(OC(C)C)ccc1NC1COC(C)(C)OC1
InChIInChI=1S/C16H25NO3/c1-11(2)20-14-6-7-15(12(3)8-14)17-13-9-18-16(4,5)19-10-13/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyAINMKVHONSHBIA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.35
Rot. Bonds4

About 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine (PubChem CID 106658628) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
PubChem CID106658628
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
SMILESCc1cc(OC(C)C)ccc1NC1COC(C)(C)OC1
InChIInChI=1S/C16H25NO3/c1-11(2)20-14-6-7-15(12(3)8-14)17-13-9-18-16(4,5)19-10-13/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyAINMKVHONSHBIA-UHFFFAOYSA-N
XLogP3.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine (CID 106658628) is 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine is Cc1cc(OC(C)C)ccc1NC1COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
The InChIKey is AINMKVHONSHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)20-14-6-7-15(12(3)8-14)17-13-9-18-16(4,5)19-10-13/h6-8,11,13,17H,9-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine has a molecular weight of 279.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106658628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).