3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one

C13H19NO3 — CID 62611924

IUPAC3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1ccccc1
InChIInChI=1S/C13H19NO3/c15-10-8-14(9-11-16)7-6-13(17)12-4-2-1-3-5-12/h1-5,15-16H,6-11H2
InChIKeyQPFIGUNLWPKOIC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.55
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one

3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one (PubChem CID 62611924) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
PubChem CID62611924
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1ccccc1
InChIInChI=1S/C13H19NO3/c15-10-8-14(9-11-16)7-6-13(17)12-4-2-1-3-5-12/h1-5,15-16H,6-11H2
InChIKeyQPFIGUNLWPKOIC-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
CID 62612995
benzene;2-hydroxy-1-phenylethanone
CID 174663024
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid
CID 173440461
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
azane;2-hydroxy-1-phenylethanone
CID 161228887
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one (CID 62611924) is 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one is O=C(CCN(CCO)CCO)c1ccccc1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
The InChIKey is QPFIGUNLWPKOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-10-8-14(9-11-16)7-6-13(17)12-4-2-1-3-5-12/h1-5,15-16H,6-11H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 62611924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).