2-amino-1-[4-(diethylamino)phenyl]propan-1-one

C13H20N2O — CID 83971993

IUPAC2-amino-1-[4-(diethylamino)phenyl]propan-1-one
SMILESCCN(CC)c1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C13H20N2O/c1-4-15(5-2)12-8-6-11(7-9-12)13(16)10(3)14/h6-10H,4-5,14H2,1-3H3
InChIKeyBFAFBZBIPGZYKQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-1-[4-(diethylamino)phenyl]propan-1-one

2-amino-1-[4-(diethylamino)phenyl]propan-1-one (PubChem CID 83971993) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-1-[4-(diethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(diethylamino)phenyl]propan-1-one
PubChem CID83971993
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-1-[4-(diethylamino)phenyl]propan-1-one
SMILESCCN(CC)c1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C13H20N2O/c1-4-15(5-2)12-8-6-11(7-9-12)13(16)10(3)14/h6-10H,4-5,14H2,1-3H3
InChIKeyBFAFBZBIPGZYKQ-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514955
4-(diethylamino)-N,N-diethylbenzamide
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1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
4-(1-aminoethenyl)-N,N-diethylaniline
CID 146581099
(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
CID 87254425
CID 167448036
CID 167448036
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(diethylamino)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(diethylamino)phenyl]propan-1-one (CID 83971993) is 2-amino-1-[4-(diethylamino)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(diethylamino)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(diethylamino)phenyl]propan-1-one is CCN(CC)c1ccc(C(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-1-[4-(diethylamino)phenyl]propan-1-one?
The InChIKey is BFAFBZBIPGZYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15(5-2)12-8-6-11(7-9-12)13(16)10(3)14/h6-10H,4-5,14H2,1-3H3.
What are the key properties of 2-amino-1-[4-(diethylamino)phenyl]propan-1-one?
2-amino-1-[4-(diethylamino)phenyl]propan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(diethylamino)phenyl]propan-1-one is sourced from PubChem (CID 83971993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).