2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid

C23H24N2O3 — CID 144778265

IUPAC2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid
SMILESNC(CCO)c1cccc(-c2cccc(Nc3ccccc3CC(=O)O)c2)c1
InChIInChI=1S/C23H24N2O3/c24-21(11-12-26)18-8-3-6-16(13-18)17-7-4-9-20(14-17)25-22-10-2-1-5-19(22)15-23(27)28/h1-10,13-14,21,25-26H,11-12,15,24H2,(H,27,28)
InChIKeyJYOMGDMQSBPYML-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.11
Rot. Bonds8

About 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid

2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid (PubChem CID 144778265) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid
PubChem CID144778265
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid
SMILESNC(CCO)c1cccc(-c2cccc(Nc3ccccc3CC(=O)O)c2)c1
InChIInChI=1S/C23H24N2O3/c24-21(11-12-26)18-8-3-6-16(13-18)17-7-4-9-20(14-17)25-22-10-2-1-5-19(22)15-23(27)28/h1-10,13-14,21,25-26H,11-12,15,24H2,(H,27,28)
InChIKeyJYOMGDMQSBPYML-UHFFFAOYSA-N
XLogP4.11
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[3,5-bis[3-(1-amino-2-hydroxyethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 123304716
3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 170875194
3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 170875196
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
2-[2-(3,4,5-trichloroanilino)phenyl]acetic acid
CID 18546366
3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol
CID 91024005
3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 67296624
(1R)-1-(3-phenylphenyl)butane-1,4-diamine
CID 171214569
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
2-[2-(4-bromoanilino)phenyl]acetic acid
CID 18546402
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid (CID 144778265) is 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid is NC(CCO)c1cccc(-c2cccc(Nc3ccccc3CC(=O)O)c2)c1.
What is the InChIKey of 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid?
The InChIKey is JYOMGDMQSBPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c24-21(11-12-26)18-8-3-6-16(13-18)17-7-4-9-20(14-17)25-22-10-2-1-5-19(22)15-23(27)28/h1-10,13-14,21,25-26H,11-12,15,24H2,(H,27,28).
What are the key properties of 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid?
2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid has a molecular weight of 376.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-(1-amino-3-hydroxypropyl)phenyl]anilino]phenyl]acetic acid is sourced from PubChem (CID 144778265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).