ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium

C12H21N2+ — CID 164942161

IUPACethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium
SMILESCCN(C)c1cccc([NH+](C)CC)c1
InChIInChI=1S/C12H20N2/c1-5-13(3)11-8-7-9-12(10-11)14(4)6-2/h7-10H,5-6H2,1-4H3/p+1
InChIKeyMPPXAYKEKFYOPM-UHFFFAOYSA-O
MW193.31 g/mol
LogP1.31
Rot. Bonds4

About ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium

ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium (PubChem CID 164942161) has the molecular formula C12H21N2+ and a molecular weight of 193.31 g/mol. Its IUPAC name is ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium.

Molecular Properties

Compound Nameethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium
PubChem CID164942161
Molecular FormulaC12H21N2+
Molecular Weight193.31 g/mol
Exact Mass193.17
IUPAC Nameethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium
SMILESCCN(C)c1cccc([NH+](C)CC)c1
InChIInChI=1S/C12H20N2/c1-5-13(3)11-8-7-9-12(10-11)14(4)6-2/h7-10H,5-6H2,1-4H3/p+1
InChIKeyMPPXAYKEKFYOPM-UHFFFAOYSA-O
XLogP1.31
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium?
The IUPAC name of ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium (CID 164942161) is ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium.
What is the SMILES notation for ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium?
The canonical SMILES for ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium is CCN(C)c1cccc([NH+](C)CC)c1.
What is the InChIKey of ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium?
The InChIKey is MPPXAYKEKFYOPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20N2/c1-5-13(3)11-8-7-9-12(10-11)14(4)6-2/h7-10H,5-6H2,1-4H3/p+1.
What are the key properties of ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium?
ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium has a molecular weight of 193.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium is sourced from PubChem (CID 164942161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).