2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine

C12H19NO2 — CID 70841230

IUPAC2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine
SMILESCCOc1cccc(C(CN)OC)c1C
InChIInChI=1S/C12H19NO2/c1-4-15-11-7-5-6-10(9(11)2)12(8-13)14-3/h5-7,12H,4,8,13H2,1-3H3
InChIKeySCJMVXABOYRQHC-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.04
Rot. Bonds5

About 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine

2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine (PubChem CID 70841230) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine
PubChem CID70841230
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine
SMILESCCOc1cccc(C(CN)OC)c1C
InChIInChI=1S/C12H19NO2/c1-4-15-11-7-5-6-10(9(11)2)12(8-13)14-3/h5-7,12H,4,8,13H2,1-3H3
InChIKeySCJMVXABOYRQHC-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-2-methoxyethanamine
CID 66071961
2-(2-ethoxyphenyl)-2-fluoroethanamine
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2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine
CID 114489137
ethane;1-ethoxy-3-fluoro-2-methylbenzene
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CID 173071394
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CID 156765471
3-amino-2-(3-methoxy-2-methylphenyl)propanoic acid
CID 115005834
1-ethoxy-2-(3,3,4,4,4-pentafluoro-1-methoxybutyl)benzene
CID 156764387
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
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(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
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(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine?
The IUPAC name of 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine (CID 70841230) is 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine is CCOc1cccc(C(CN)OC)c1C.
What is the InChIKey of 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine?
The InChIKey is SCJMVXABOYRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-15-11-7-5-6-10(9(11)2)12(8-13)14-3/h5-7,12H,4,8,13H2,1-3H3.
What are the key properties of 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine?
2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-methylphenyl)-2-methoxyethanamine is sourced from PubChem (CID 70841230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).