1-(2,4-dimethylphenyl)-2-octoxyethanamine

C18H31NO — CID 43127891

IUPAC1-(2,4-dimethylphenyl)-2-octoxyethanamine
SMILESCCCCCCCCOCC(N)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-12-20-14-18(19)17-11-10-15(2)13-16(17)3/h10-11,13,18H,4-9,12,14,19H2,1-3H3
InChIKeyLHRUSGSAVTTYEA-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.68
Rot. Bonds10

About 1-(2,4-dimethylphenyl)-2-octoxyethanamine

1-(2,4-dimethylphenyl)-2-octoxyethanamine (PubChem CID 43127891) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-octoxyethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-octoxyethanamine
PubChem CID43127891
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2,4-dimethylphenyl)-2-octoxyethanamine
SMILESCCCCCCCCOCC(N)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-12-20-14-18(19)17-11-10-15(2)13-16(17)3/h10-11,13,18H,4-9,12,14,19H2,1-3H3
InChIKeyLHRUSGSAVTTYEA-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 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 ≤ 54.68
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-methylphenyl)-2-octoxyethanamine
CID 43127875
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
CID 107758585
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine
CID 114340874
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-octoxyethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-octoxyethanamine (CID 43127891) is 1-(2,4-dimethylphenyl)-2-octoxyethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-octoxyethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-octoxyethanamine is CCCCCCCCOCC(N)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-octoxyethanamine?
The InChIKey is LHRUSGSAVTTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-5-6-7-8-9-12-20-14-18(19)17-11-10-15(2)13-16(17)3/h10-11,13,18H,4-9,12,14,19H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-octoxyethanamine?
1-(2,4-dimethylphenyl)-2-octoxyethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.68, 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)-2-octoxyethanamine is sourced from PubChem (CID 43127891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).