2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline

C13H21NO2 — CID 62535868

IUPAC2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
SMILESCCOc1cc(C)ccc1NC(C)COC
InChIInChI=1S/C13H21NO2/c1-5-16-13-8-10(2)6-7-12(13)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3
InChIKeyQTDJBZVMRQDZND-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.84
Rot. Bonds6

About 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline

2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline (PubChem CID 62535868) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
PubChem CID62535868
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
SMILESCCOc1cc(C)ccc1NC(C)COC
InChIInChI=1S/C13H21NO2/c1-5-16-13-8-10(2)6-7-12(13)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3
InChIKeyQTDJBZVMRQDZND-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534590
3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 115663718
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601
3-chloro-4-ethoxy-N-(1-methoxypropan-2-yl)aniline
CID 62534724
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-ethoxy-4-methylaniline
CID 82964942
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929063
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
The IUPAC name of 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline (CID 62535868) is 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline.
What is the SMILES notation for 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
The canonical SMILES for 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline is CCOc1cc(C)ccc1NC(C)COC.
What is the InChIKey of 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
The InChIKey is QTDJBZVMRQDZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-16-13-8-10(2)6-7-12(13)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3.
What are the key properties of 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline is sourced from PubChem (CID 62535868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).