N,3-diethyl-N-methylaniline

C11H17N — CID 131018542

IUPACN,3-diethyl-N-methylaniline
SMILESCCc1cccc(N(C)CC)c1
InChIInChI=1S/C11H17N/c1-4-10-7-6-8-11(9-10)12(3)5-2/h6-9H,4-5H2,1-3H3
InChIKeyCLEISTGJXRSIMT-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds3

About N,3-diethyl-N-methylaniline

N,3-diethyl-N-methylaniline (PubChem CID 131018542) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,3-diethyl-N-methylaniline.

Molecular Properties

Compound NameN,3-diethyl-N-methylaniline
PubChem CID131018542
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,3-diethyl-N-methylaniline
SMILESCCc1cccc(N(C)CC)c1
InChIInChI=1S/C11H17N/c1-4-10-7-6-8-11(9-10)12(3)5-2/h6-9H,4-5H2,1-3H3
InChIKeyCLEISTGJXRSIMT-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-methylaniline?
The IUPAC name of N,3-diethyl-N-methylaniline (CID 131018542) is N,3-diethyl-N-methylaniline.
What is the SMILES notation for N,3-diethyl-N-methylaniline?
The canonical SMILES for N,3-diethyl-N-methylaniline is CCc1cccc(N(C)CC)c1.
What is the InChIKey of N,3-diethyl-N-methylaniline?
The InChIKey is CLEISTGJXRSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-7-6-8-11(9-10)12(3)5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of N,3-diethyl-N-methylaniline?
N,3-diethyl-N-methylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-methylaniline is sourced from PubChem (CID 131018542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).