1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine

C18H31NO — CID 63475815

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
SMILESCCNC(COCCCC(C)C)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-6-19-18(13-20-11-7-8-14(2)3)17-10-9-15(4)12-16(17)5/h9-10,12,14,18-19H,6-8,11,13H2,1-5H3
InChIKeySTLKTEPPVFIFQF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.41
Rot. Bonds9

About 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine

1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine (PubChem CID 63475815) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
PubChem CID63475815
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
SMILESCCNC(COCCCC(C)C)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-6-19-18(13-20-11-7-8-14(2)3)17-10-9-15(4)12-16(17)5/h9-10,12,14,18-19H,6-8,11,13H2,1-5H3
InChIKeySTLKTEPPVFIFQF-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
CID 65313666
4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
CID 105142729
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine (CID 63475815) is 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine is CCNC(COCCCC(C)C)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine?
The InChIKey is STLKTEPPVFIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-18(13-20-11-7-8-14(2)3)17-10-9-15(4)12-16(17)5/h9-10,12,14,18-19H,6-8,11,13H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine?
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine is sourced from PubChem (CID 63475815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).