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

C14H21NO3 — CID 66472307

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CCC1OCCCO1
InChIInChI=1S/C14H21NO3/c1-15(9-8-14-17-10-5-11-18-14)12-6-3-4-7-13(12)16-2/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyMRNADQQAKNCHKX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.28
Rot. Bonds5

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

N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline (PubChem CID 66472307) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
PubChem CID66472307
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CCC1OCCCO1
InChIInChI=1S/C14H21NO3/c1-15(9-8-14-17-10-5-11-18-14)12-6-3-4-7-13(12)16-2/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyMRNADQQAKNCHKX-UHFFFAOYSA-N
XLogP2.28
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline (CID 66472307) is N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)CCC1OCCCO1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline?
The InChIKey is MRNADQQAKNCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(9-8-14-17-10-5-11-18-14)12-6-3-4-7-13(12)16-2/h3-4,6-7,14H,5,8-11H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline?
N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline has a molecular weight of 251.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 66472307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).