N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline

C14H21NO2 — CID 66472713

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)CCC1OCCCO1
InChIInChI=1S/C14H21NO2/c1-12-6-3-4-7-13(12)15(2)9-8-14-16-10-5-11-17-14/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyITCPYGJAKYYNKA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline

N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline (PubChem CID 66472713) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline
PubChem CID66472713
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)CCC1OCCCO1
InChIInChI=1S/C14H21NO2/c1-12-6-3-4-7-13(12)15(2)9-8-14-16-10-5-11-17-14/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyITCPYGJAKYYNKA-UHFFFAOYSA-N
XLogP2.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline (CID 66472713) is N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline is Cc1ccccc1N(C)CCC1OCCCO1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline?
The InChIKey is ITCPYGJAKYYNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-6-3-4-7-13(12)15(2)9-8-14-16-10-5-11-17-14/h3-4,6-7,14H,5,8-11H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline?
N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline has a molecular weight of 235.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline is sourced from PubChem (CID 66472713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).