N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine

C13H21NO — CID 887531

IUPACN,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCc1cc(C)c(C)c(OCCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-10-8-11(2)12(3)13(9-10)15-7-6-14(4)5/h8-9H,6-7H2,1-5H3
InChIKeyNASNUMMIBNWADM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.55
Rot. Bonds4

About N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine

N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine (PubChem CID 887531) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine
PubChem CID887531
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCc1cc(C)c(C)c(OCCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-10-8-11(2)12(3)13(9-10)15-7-6-14(4)5/h8-9H,6-7H2,1-5H3
InChIKeyNASNUMMIBNWADM-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine (CID 887531) is N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine is Cc1cc(C)c(C)c(OCCN(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The InChIKey is NASNUMMIBNWADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-8-11(2)12(3)13(9-10)15-7-6-14(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,3,5-trimethylphenoxy)ethanamine is sourced from PubChem (CID 887531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).