1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

C16H27NO3 — CID 115941946

IUPAC1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCOc1ccc(C)cc1C(N)COCCOC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-12-6-7-15(18-5)13(10-12)14(17)11-19-8-9-20-16(2,3)4/h6-7,10,14H,8-9,11,17H2,1-5H3
InChIKeyDJDGNSDAWDXNEV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.84
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (PubChem CID 115941946) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
PubChem CID115941946
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCOc1ccc(C)cc1C(N)COCCOC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-12-6-7-15(18-5)13(10-12)14(17)11-19-8-9-20-16(2,3)4/h6-7,10,14H,8-9,11,17H2,1-5H3
InChIKeyDJDGNSDAWDXNEV-UHFFFAOYSA-N
XLogP2.84
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587392
1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43183961
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344
1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 107523950

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (CID 115941946) is 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is COc1ccc(C)cc1C(N)COCCOC(C)(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The InChIKey is DJDGNSDAWDXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-6-7-15(18-5)13(10-12)14(17)11-19-8-9-20-16(2,3)4/h6-7,10,14H,8-9,11,17H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is sourced from PubChem (CID 115941946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).