2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol

C24H27NO4 — CID 144778131

IUPAC2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
SMILESCCO.NCc1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1
InChIInChI=1S/C22H21NO3.C2H6O/c23-14-16-5-3-8-18(11-16)19-9-4-6-17(12-19)15-26-21-10-2-1-7-20(21)13-22(24)25;1-2-3/h1-12H,13-15,23H2,(H,24,25);3H,2H2,1H3
InChIKeyWFBHAKTYPIVGSM-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.02
Rot. Bonds7

About 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol

2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol (PubChem CID 144778131) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol.

Molecular Properties

Compound Name2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
PubChem CID144778131
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
SMILESCCO.NCc1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1
InChIInChI=1S/C22H21NO3.C2H6O/c23-14-16-5-3-8-18(11-16)19-9-4-6-17(12-19)15-26-21-10-2-1-7-20(21)13-22(24)25;1-2-3/h1-12H,13-15,23H2,(H,24,25);3H,2H2,1H3
InChIKeyWFBHAKTYPIVGSM-UHFFFAOYSA-N
XLogP4.02
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[3-[3-(aminomethyl)phenyl]-5-(propan-2-ylamino)phenyl]methoxy]phenyl]acetic acid
CID 144778291
2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid
CID 125465818
2-[2-[[3-[3-(aminomethyl)phenyl]-5-(2-azaspiro[3.5]nonan-2-yl)phenyl]methoxy]phenyl]acetic acid
CID 172524455
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560496
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560010
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211
2-[2-[[4-[3-(aminomethyl)phenyl]-1-phenylindol-6-yl]methoxy]phenyl]acetic acid
CID 139560373
2-[2-[[2-(2-aminoethyl)-7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560638
2-[2-[[3-[3-(1-aminoethyl)-2-chlorophenyl]phenyl]methoxy]phenyl]acetic acid
CID 121347503
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(trifluoromethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560016
2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid
CID 139559991
2-[2-[[3-(3-cyano-2-methylphenyl)phenyl]methoxy]phenyl]acetic acid
CID 121347431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol?
The IUPAC name of 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol (CID 144778131) is 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol.
What is the SMILES notation for 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol?
The canonical SMILES for 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol is CCO.NCc1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1.
What is the InChIKey of 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol?
The InChIKey is WFBHAKTYPIVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3.C2H6O/c23-14-16-5-3-8-18(11-16)19-9-4-6-17(12-19)15-26-21-10-2-1-7-20(21)13-22(24)25;1-2-3/h1-12H,13-15,23H2,(H,24,25);3H,2H2,1H3.
What are the key properties of 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol?
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol has a molecular weight of 393.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol is sourced from PubChem (CID 144778131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).