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

C11H13Cl2NO2 — CID 28364

IUPAC2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
SMILESCC1(N)COC(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3
InChIKeyRYRMQVSKHWRIGN-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.76
Rot. Bonds1

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

2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine (PubChem CID 28364) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
PubChem CID28364
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
SMILESCC1(N)COC(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3
InChIKeyRYRMQVSKHWRIGN-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3,4-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186417
2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane
CID 19019237
6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine
CID 10400290
2-(4-chlorophenyl)-5-methyl-5-nitro-1,3-dioxane
CID 23884
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002465
cis-(1R,2R)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002466
2-(4-bromo-3-chlorophenyl)-1,3-dioxolane
CID 91619451
(4S)-4-(3,4-dichlorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186414
5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
CID 71131911
2-(3,4-dichlorophenyl)-1,3-dihydroxy-4,4,5,5-tetramethylimidazolidine
CID 86249348
[(3R,5S)-3,5-bis(3,4-dichlorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanethiol
CID 53386968
4-(5,5-dimethyl-1,3-dioxan-2-yl)benzaldehyde
CID 14827744

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine (CID 28364) is 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine is CC1(N)COC(c2ccc(Cl)c(Cl)c2)OC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
The InChIKey is RYRMQVSKHWRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine?
2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine has a molecular weight of 262.14 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine is sourced from PubChem (CID 28364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).