1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one

C16H17NO2 — CID 56974178

IUPAC1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
SMILESCNC(Cc1ccccc1)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H17NO2/c1-17-15(10-12-6-3-2-4-7-12)16(19)13-8-5-9-14(18)11-13/h2-9,11,15,17-18H,10H2,1H3
InChIKeyIJGZECRYGLXNBF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.41
Rot. Bonds5

About 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one

1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one (PubChem CID 56974178) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
PubChem CID56974178
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
SMILESCNC(Cc1ccccc1)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H17NO2/c1-17-15(10-12-6-3-2-4-7-12)16(19)13-8-5-9-14(18)11-13/h2-9,11,15,17-18H,10H2,1H3
InChIKeyIJGZECRYGLXNBF-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
methanamine;(3S)-3-(methylamino)-2-oxo-4-phenylbutanoic acid
CID 163483257
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57396637
(2-benzamido-3-phenylpropyl) 2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 76535138
2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
CID 88838543
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one (CID 56974178) is 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one is CNC(Cc1ccccc1)C(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
The InChIKey is IJGZECRYGLXNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-15(10-12-6-3-2-4-7-12)16(19)13-8-5-9-14(18)11-13/h2-9,11,15,17-18H,10H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one has a molecular weight of 255.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one is sourced from PubChem (CID 56974178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).