2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one

C12H17NO2 — CID 116920613

IUPAC2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one
SMILESCCCc1ccc(C(=O)C(N)CO)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-4-6-10(7-5-9)12(15)11(13)8-14/h4-7,11,14H,2-3,8,13H2,1H3
InChIKeyOGPHNDBMWYDVQQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.14
Rot. Bonds5

About 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one

2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one (PubChem CID 116920613) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one
PubChem CID116920613
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one
SMILESCCCc1ccc(C(=O)C(N)CO)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-4-6-10(7-5-9)12(15)11(13)8-14/h4-7,11,14H,2-3,8,13H2,1H3
InChIKeyOGPHNDBMWYDVQQ-UHFFFAOYSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-(4-propylphenyl)butan-1-one
CID 116612122
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
2,2-dimethoxy-1-(4-propylphenyl)ethanone
CID 79493319
ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen
CID 156886026
ethane;4-propylbenzoic acid
CID 91047964
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
2-[4-(2-aminohexanoyl)phenyl]acetic acid
CID 70523747
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349363
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
N'-hydroxy-4-propylbenzohydrazide
CID 18359035

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one?
The IUPAC name of 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one (CID 116920613) is 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one?
The canonical SMILES for 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one is CCCc1ccc(C(=O)C(N)CO)cc1.
What is the InChIKey of 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one?
The InChIKey is OGPHNDBMWYDVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-9-4-6-10(7-5-9)12(15)11(13)8-14/h4-7,11,14H,2-3,8,13H2,1H3.
What are the key properties of 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one?
2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one is sourced from PubChem (CID 116920613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).