1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

C16H27NO2 — CID 112587392

IUPAC1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCc1ccc(C(N)COCCOC(C)(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-12-6-7-14(10-13(12)2)15(17)11-18-8-9-19-16(3,4)5/h6-7,10,15H,8-9,11,17H2,1-5H3
InChIKeyGEKTUBBYTBFXIA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (PubChem CID 112587392) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
PubChem CID112587392
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCc1ccc(C(N)COCCOC(C)(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-12-6-7-14(10-13(12)2)15(17)11-18-8-9-19-16(3,4)5/h6-7,10,15H,8-9,11,17H2,1-5H3
InChIKeyGEKTUBBYTBFXIA-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 107523950
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (CID 112587392) is 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is Cc1ccc(C(N)COCCOC(C)(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The InChIKey is GEKTUBBYTBFXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-6-7-14(10-13(12)2)15(17)11-18-8-9-19-16(3,4)5/h6-7,10,15H,8-9,11,17H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is sourced from PubChem (CID 112587392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).