1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine

C15H25NO — CID 43184437

IUPAC1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
SMILESCc1ccc(C(N)COCCC(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-11(2)7-8-17-10-15(16)14-6-5-12(3)9-13(14)4/h5-6,9,11,15H,7-8,10,16H2,1-4H3
InChIKeyRESJFKWNVUAAFL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.37
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine

1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine (PubChem CID 43184437) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
PubChem CID43184437
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
SMILESCc1ccc(C(N)COCCC(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-11(2)7-8-17-10-15(16)14-6-5-12(3)9-13(14)4/h5-6,9,11,15H,7-8,10,16H2,1-4H3
InChIKeyRESJFKWNVUAAFL-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.37
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

2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63932433

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine (CID 43184437) is 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine is Cc1ccc(C(N)COCCC(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine?
The InChIKey is RESJFKWNVUAAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)7-8-17-10-15(16)14-6-5-12(3)9-13(14)4/h5-6,9,11,15H,7-8,10,16H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine?
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.37, 6 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-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 43184437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).