1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine

C15H25NO — CID 116717431

IUPAC1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine
SMILESCCCC(OCC)C(N)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO/c1-5-7-14(17-6-2)15(16)13-9-8-11(3)10-12(13)4/h8-10,14-15H,5-7,16H2,1-4H3
InChIKeyJSDTVSJXRTWDBC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.51
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine

1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine (PubChem CID 116717431) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine
PubChem CID116717431
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine
SMILESCCCC(OCC)C(N)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO/c1-5-7-14(17-6-2)15(16)13-9-8-11(3)10-12(13)4/h8-10,14-15H,5-7,16H2,1-4H3
InChIKeyJSDTVSJXRTWDBC-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
2-ethoxy-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 116717498
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
[2-ethoxy-1-(2-fluoro-5-methylphenyl)pentyl]hydrazine
CID 105271295
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
CID 116717547
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine (CID 116717431) is 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine is CCCC(OCC)C(N)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine?
The InChIKey is JSDTVSJXRTWDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-14(17-6-2)15(16)13-9-8-11(3)10-12(13)4/h8-10,14-15H,5-7,16H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine?
1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.51, 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-ethoxypentan-1-amine is sourced from PubChem (CID 116717431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).