N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline

C14H21NO2 — CID 81101182

IUPACN-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCC1CCOCO1
InChIInChI=1S/C14H21NO2/c1-11(2)13-5-3-4-6-14(13)15-9-12-7-8-16-10-17-12/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyAUEXLZUCDAITOU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.98
Rot. Bonds4

About N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline

N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline (PubChem CID 81101182) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline
PubChem CID81101182
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCC1CCOCO1
InChIInChI=1S/C14H21NO2/c1-11(2)13-5-3-4-6-14(13)15-9-12-7-8-16-10-17-12/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyAUEXLZUCDAITOU-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-2-methylsulfanylaniline
CID 104952378
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870088
2-chloro-N-(1,3-dioxan-4-ylmethyl)-4-methylaniline
CID 81102036
N-(1,3-dioxan-4-ylmethyl)-2,4-dimethoxyaniline
CID 81101068
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline
CID 81093029
N-(1,3-dioxan-4-ylmethyl)-4-iodoaniline
CID 81102544
4-bromo-N-(1,3-dioxan-4-ylmethyl)aniline
CID 78997204
N-(1,3-dioxan-4-ylmethyl)-2-fluoro-5-methoxyaniline
CID 81093394
N-(1,3-dioxan-4-ylmethyl)-1-(4-fluorophenyl)ethanamine
CID 81102301
N-(1,3-dioxan-4-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818649

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline (CID 81101182) is N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline is CC(C)c1ccccc1NCC1CCOCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline?
The InChIKey is AUEXLZUCDAITOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)13-5-3-4-6-14(13)15-9-12-7-8-16-10-17-12/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline?
N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline has a molecular weight of 235.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline is sourced from PubChem (CID 81101182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).