2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid

C18H23NO3 — CID 174946670

IUPAC2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
SMILESCN(C)CCO.O=C(O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O2.C4H11NO/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-5(2)3-4-6/h1-9H,10H2,(H,15,16);6H,3-4H2,1-2H3
InChIKeyDGAXZLCSJVLXLW-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.52
Rot. Bonds5

About 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid

2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid (PubChem CID 174946670) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
PubChem CID174946670
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
SMILESCN(C)CCO.O=C(O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O2.C4H11NO/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-5(2)3-4-6/h1-9H,10H2,(H,15,16);6H,3-4H2,1-2H3
InChIKeyDGAXZLCSJVLXLW-UHFFFAOYSA-N
XLogP2.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid
CID 82107346
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081
1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
CID 86623035
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
CID 113224421
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
CID 83820596
zinc;benzoic acid;2-(dimethylamino)ethanol;dimethylaminomethanol
CID 59958821
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid
CID 6456297

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid?
The IUPAC name of 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid (CID 174946670) is 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid is CN(C)CCO.O=C(O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid?
The InChIKey is DGAXZLCSJVLXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C4H11NO/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-5(2)3-4-6/h1-9H,10H2,(H,15,16);6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid?
2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid has a molecular weight of 301.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid is sourced from PubChem (CID 174946670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).