N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine

C12H19N — CID 58662120

IUPACN-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCCN(C)CCc1ccc(C)cc1
InChIInChI=1S/C12H19N/c1-4-13(3)10-9-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyOHJHPURYWJSFHL-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.49
Rot. Bonds4

About N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine

N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 58662120) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID58662120
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCCN(C)CCc1ccc(C)cc1
InChIInChI=1S/C12H19N/c1-4-13(3)10-9-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyOHJHPURYWJSFHL-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
CID 170568640
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 115120911
2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine
CID 170050351
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine
CID 155740431
1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115243117
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine (CID 58662120) is N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine is CCN(C)CCc1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is OHJHPURYWJSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-13(3)10-9-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine?
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 58662120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).