1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone

C14H21NO2 — CID 82951599

IUPAC1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
SMILESCOCCN(c1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(9-10-17-4)14-7-5-13(6-8-14)12(3)16/h5-8,11H,9-10H2,1-4H3
InChIKeyNQUCWTAUHUCDDU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.75
Rot. Bonds6

About 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone

1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone (PubChem CID 82951599) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
PubChem CID82951599
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
SMILESCOCCN(c1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(9-10-17-4)14-7-5-13(6-8-14)12(3)16/h5-8,11H,9-10H2,1-4H3
InChIKeyNQUCWTAUHUCDDU-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 114066905
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
4-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylaniline
CID 82951076
(1S)-1-[5-[2-methoxyethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938942
1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine
CID 82948626
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
4-acetyl-3-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 113372801
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
hexyl 4-[hexyl(propan-2-yl)amino]benzoate
CID 139788794

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone (CID 82951599) is 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone is COCCN(c1ccc(C(C)=O)cc1)C(C)C.
What is the InChIKey of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone?
The InChIKey is NQUCWTAUHUCDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)15(9-10-17-4)14-7-5-13(6-8-14)12(3)16/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone?
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 82951599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).