2-(2,4-dimethylphenyl)-N-ethylethanamine

C12H19N — CID 62801673

IUPAC2-(2,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNCCc1ccc(C)cc1C
InChIInChI=1S/C12H19N/c1-4-13-8-7-12-6-5-10(2)9-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyPZDWAJQIRRAIGW-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.46
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-ethylethanamine

2-(2,4-dimethylphenyl)-N-ethylethanamine (PubChem CID 62801673) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-ethylethanamine
PubChem CID62801673
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(2,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNCCc1ccc(C)cc1C
InChIInChI=1S/C12H19N/c1-4-13-8-7-12-6-5-10(2)9-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyPZDWAJQIRRAIGW-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
CID 115258819
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243633
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243065
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane
CID 165130204
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-ethylethanamine (CID 62801673) is 2-(2,4-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-ethylethanamine is CCNCCc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-ethylethanamine?
The InChIKey is PZDWAJQIRRAIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-13-8-7-12-6-5-10(2)9-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-ethylethanamine?
2-(2,4-dimethylphenyl)-N-ethylethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 62801673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).