N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine

C14H19F2NO4 — CID 106658341

IUPACN-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1ccc(OC(F)F)c(NC2COC(C)(C)OC2)c1
InChIInChI=1S/C14H19F2NO4/c1-14(2)19-7-9(8-20-14)17-11-6-10(18-3)4-5-12(11)21-13(15)16/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyQJNAIEYETMZCRK-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine

N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658341) has the molecular formula C14H19F2NO4 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658341
Molecular FormulaC14H19F2NO4
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC NameN-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1ccc(OC(F)F)c(NC2COC(C)(C)OC2)c1
InChIInChI=1S/C14H19F2NO4/c1-14(2)19-7-9(8-20-14)17-11-6-10(18-3)4-5-12(11)21-13(15)16/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyQJNAIEYETMZCRK-UHFFFAOYSA-N
XLogP2.86
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561268
1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
CID 80559714
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658612
N-[2-(difluoromethoxy)-5-methoxyphenyl]-4,4-dimethylthian-3-amine
CID 79954810
N-[2-(difluoromethoxy)-5-methoxyphenyl]-1,1-dioxothian-3-amine
CID 63909309
N-(2-methoxy-5-nitrophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658389
2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
CID 106658628
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63740019

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658341) is N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine is COc1ccc(OC(F)F)c(NC2COC(C)(C)OC2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is QJNAIEYETMZCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4/c1-14(2)19-7-9(8-20-14)17-11-6-10(18-3)4-5-12(11)21-13(15)16/h4-6,9,13,17H,7-8H2,1-3H3.
What are the key properties of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 303.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).