1-[4-(diethylaminomethyl)phenyl]ethanone

C13H19NO — CID 11571995

IUPAC1-[4-(diethylaminomethyl)phenyl]ethanone
SMILESCCN(CC)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H19NO/c1-4-14(5-2)10-12-6-8-13(9-7-12)11(3)15/h6-9H,4-5,10H2,1-3H3
InChIKeyXTFAIMNIOVYPGG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-(diethylaminomethyl)phenyl]ethanone

1-[4-(diethylaminomethyl)phenyl]ethanone (PubChem CID 11571995) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[4-(diethylaminomethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(diethylaminomethyl)phenyl]ethanone
PubChem CID11571995
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[4-(diethylaminomethyl)phenyl]ethanone
SMILESCCN(CC)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H19NO/c1-4-14(5-2)10-12-6-8-13(9-7-12)11(3)15/h6-9H,4-5,10H2,1-3H3
InChIKeyXTFAIMNIOVYPGG-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(diethylaminomethyl)benzoate
CID 786451
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone
CID 21084608
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 18118896
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8948537
methyl 2-[4-(diethylaminomethyl)phenyl]acetate
CID 125041894
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylaminomethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(diethylaminomethyl)phenyl]ethanone (CID 11571995) is 1-[4-(diethylaminomethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(diethylaminomethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(diethylaminomethyl)phenyl]ethanone is CCN(CC)Cc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(diethylaminomethyl)phenyl]ethanone?
The InChIKey is XTFAIMNIOVYPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14(5-2)10-12-6-8-13(9-7-12)11(3)15/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-[4-(diethylaminomethyl)phenyl]ethanone?
1-[4-(diethylaminomethyl)phenyl]ethanone has a molecular weight of 205.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylaminomethyl)phenyl]ethanone is sourced from PubChem (CID 11571995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).