1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine

C18H31NO — CID 63475828

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
SMILESCCCCCCOCC(NCC)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-5-7-8-9-12-20-14-18(19-6-2)17-11-10-15(3)13-16(17)4/h10-11,13,18-19H,5-9,12,14H2,1-4H3
InChIKeyZSGUHLQTPMSQLB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.55
Rot. Bonds10

About 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine

1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine (PubChem CID 63475828) 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-hexoxyethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
PubChem CID63475828
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
SMILESCCCCCCOCC(NCC)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-5-7-8-9-12-20-14-18(19-6-2)17-11-10-15(3)13-16(17)4/h10-11,13,18-19H,5-9,12,14H2,1-4H3
InChIKeyZSGUHLQTPMSQLB-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398
1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63474742
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
CID 65313666
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine (CID 63475828) is 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine is CCCCCCOCC(NCC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine?
The InChIKey is ZSGUHLQTPMSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-7-8-9-12-20-14-18(19-6-2)17-11-10-15(3)13-16(17)4/h10-11,13,18-19H,5-9,12,14H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine?
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.55, 10 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-hexoxyethanamine is sourced from PubChem (CID 63475828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).