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

C12H15Cl2NO2 — CID 106658028

IUPACN-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C12H15Cl2NO2/c1-12(2)16-6-9(7-17-12)15-8-3-4-10(13)11(14)5-8/h3-5,9,15H,6-7H2,1-2H3
InChIKeyYVDXZRVKZFGJFT-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.56
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658028) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658028
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC NameN-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C12H15Cl2NO2/c1-12(2)16-6-9(7-17-12)15-8-3-4-10(13)11(14)5-8/h3-5,9,15H,6-7H2,1-2H3
InChIKeyYVDXZRVKZFGJFT-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 106658230
2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine
CID 106658164
6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 106658413
[4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol
CID 106658979
2,2-dimethyl-N-(3-methylsulfanylphenyl)-1,3-dioxan-5-amine
CID 106657980
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658612
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3H-1,3-benzoxazol-2-one
CID 106658517
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
2,2-dimethyl-N-(3-pyrrol-1-ylphenyl)-1,3-dioxan-5-amine
CID 106658465
6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 106658287
4-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 106658246
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658028) is N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(Nc2ccc(Cl)c(Cl)c2)CO1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is YVDXZRVKZFGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-12(2)16-6-9(7-17-12)15-8-3-4-10(13)11(14)5-8/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 276.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).