N-(1,3-dioxan-2-ylmethyl)aniline

C11H15NO2 — CID 102849692

IUPACN-(1,3-dioxan-2-ylmethyl)aniline
SMILESc1ccc(NCC2OCCCO2)cc1
InChIInChI=1S/C11H15NO2/c1-2-5-10(6-3-1)12-9-11-13-7-4-8-14-11/h1-3,5-6,11-12H,4,7-9H2
InChIKeyHQMAITMCNNAEBF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.86
Rot. Bonds3

About N-(1,3-dioxan-2-ylmethyl)aniline

N-(1,3-dioxan-2-ylmethyl)aniline (PubChem CID 102849692) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(1,3-dioxan-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1,3-dioxan-2-ylmethyl)aniline
PubChem CID102849692
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(1,3-dioxan-2-ylmethyl)aniline
SMILESc1ccc(NCC2OCCCO2)cc1
InChIInChI=1S/C11H15NO2/c1-2-5-10(6-3-1)12-9-11-13-7-4-8-14-11/h1-3,5-6,11-12H,4,7-9H2
InChIKeyHQMAITMCNNAEBF-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine
CID 69028218
N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)aniline
CID 131162914
N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine
CID 100620908
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline
CID 66837373
2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane
CID 139665210
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
[5-(anilinomethyl)pyrrolidin-2-yl]methanol
CID 91618895

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-2-ylmethyl)aniline?
The IUPAC name of N-(1,3-dioxan-2-ylmethyl)aniline (CID 102849692) is N-(1,3-dioxan-2-ylmethyl)aniline.
What is the SMILES notation for N-(1,3-dioxan-2-ylmethyl)aniline?
The canonical SMILES for N-(1,3-dioxan-2-ylmethyl)aniline is c1ccc(NCC2OCCCO2)cc1.
What is the InChIKey of N-(1,3-dioxan-2-ylmethyl)aniline?
The InChIKey is HQMAITMCNNAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-5-10(6-3-1)12-9-11-13-7-4-8-14-11/h1-3,5-6,11-12H,4,7-9H2.
What are the key properties of N-(1,3-dioxan-2-ylmethyl)aniline?
N-(1,3-dioxan-2-ylmethyl)aniline has a molecular weight of 193.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-2-ylmethyl)aniline is sourced from PubChem (CID 102849692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).