N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

C14H20BrNO3 — CID 106658613

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1cc(Br)cc(C)c1NC1COC(C)(C)OC1
InChIInChI=1S/C14H20BrNO3/c1-9-5-10(15)6-12(17-4)13(9)16-11-7-18-14(2,3)19-8-11/h5-6,11,16H,7-8H2,1-4H3
InChIKeyJHKYPZIIGGPLMB-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.33
Rot. Bonds3

About N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658613) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658613
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1cc(Br)cc(C)c1NC1COC(C)(C)OC1
InChIInChI=1S/C14H20BrNO3/c1-9-5-10(15)6-12(17-4)13(9)16-11-7-18-14(2,3)19-8-11/h5-6,11,16H,7-8H2,1-4H3
InChIKeyJHKYPZIIGGPLMB-UHFFFAOYSA-N
XLogP3.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-2-methoxy-6-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633798
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
N-(4-bromo-2-methoxy-6-methylphenyl)adamantan-2-amine
CID 63449591
N-(4-bromo-2-methoxy-6-methylphenyl)-1,1-dioxothian-3-amine
CID 63924009
N-(4-bromo-2-methoxy-6-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863051
4-bromo-2-methoxy-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64759226
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 107597744
2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine
CID 106658164
N-(2,4-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658270
N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658503
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658613) is N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is COc1cc(Br)cc(C)c1NC1COC(C)(C)OC1.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is JHKYPZIIGGPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-9-5-10(15)6-12(17-4)13(9)16-11-7-18-14(2,3)19-8-11/h5-6,11,16H,7-8H2,1-4H3.
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 330.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).