1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine

C16H27NO2 — CID 79495401

IUPAC1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C(OCC)OCC
InChIInChI=1S/C16H27NO2/c1-6-17-15(16(18-7-2)19-8-3)14-10-12(4)9-13(5)11-14/h9-11,15-17H,6-8H2,1-5H3
InChIKeyZHZAINPZTVPXPC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.35
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine

1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine (PubChem CID 79495401) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine
PubChem CID79495401
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C(OCC)OCC
InChIInChI=1S/C16H27NO2/c1-6-17-15(16(18-7-2)19-8-3)14-10-12(4)9-13(5)11-14/h9-11,15-17H,6-8H2,1-5H3
InChIKeyZHZAINPZTVPXPC-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 79495409
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116721522
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
1-(3,5-dimethylphenyl)-1-ethoxypropan-2-one
CID 83224960
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 105016424
3-(2,5-dimethylphenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495019

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine (CID 79495401) is 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine is CCNC(c1cc(C)cc(C)c1)C(OCC)OCC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine?
The InChIKey is ZHZAINPZTVPXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-15(16(18-7-2)19-8-3)14-10-12(4)9-13(5)11-14/h9-11,15-17H,6-8H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine?
1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine is sourced from PubChem (CID 79495401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).