2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine

C15H25NO2 — CID 81094380

IUPAC2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCCOC(CNCCc1ccccc1C)OCC
InChIInChI=1S/C15H25NO2/c1-4-17-15(18-5-2)12-16-11-10-14-9-7-6-8-13(14)3/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyZLNLIJMVDRHXNU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.53
Rot. Bonds9

About 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine

2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81094380) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine
PubChem CID81094380
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCCOC(CNCCc1ccccc1C)OCC
InChIInChI=1S/C15H25NO2/c1-4-17-15(18-5-2)12-16-11-10-14-9-7-6-8-13(14)3/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyZLNLIJMVDRHXNU-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
2-[[2-(2-methylphenyl)ethylamino]methyl]butanenitrile
CID 115254066
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
3-hydroxy-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 103256406
N-(2,2-diethoxyethyl)-2,2-diphenylethanamine
CID 70269046
N-[2-(2-methylphenyl)ethyl]prop-2-yn-1-amine
CID 112722414
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
methyl 2-[(2,2-diethoxyethylamino)methyl]benzoate
CID 79547520
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine (CID 81094380) is 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine is CCOC(CNCCc1ccccc1C)OCC.
What is the InChIKey of 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is ZLNLIJMVDRHXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-17-15(18-5-2)12-16-11-10-14-9-7-6-8-13(14)3/h6-9,15-16H,4-5,10-12H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine?
2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81094380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).