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

C14H21NO4 — CID 106657987

IUPACN-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1ccc(NC2COC(C)(C)OC2)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-14(2)18-8-10(9-19-14)15-12-6-5-11(16-3)7-13(12)17-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyUNGMCZAGABVAHV-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.27
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106657987) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106657987
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1ccc(NC2COC(C)(C)OC2)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-14(2)18-8-10(9-19-14)15-12-6-5-11(16-3)7-13(12)17-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyUNGMCZAGABVAHV-UHFFFAOYSA-N
XLogP2.27
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658341
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
N-(2-methoxy-5-nitrophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658389
N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658503
2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
CID 106658628
N-(2,4-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658270
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467101
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846354
N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658613
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106657987) is N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is COc1ccc(NC2COC(C)(C)OC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is UNGMCZAGABVAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2)18-8-10(9-19-14)15-12-6-5-11(16-3)7-13(12)17-4/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 267.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106657987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).