2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid

C23H23NO3 — CID 125465818

IUPAC2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid
SMILESC[C@H](Oc1ccccc1CC(=O)O)c1cccc(-c2cccc(CN)c2)c1
InChIInChI=1S/C23H23NO3/c1-16(27-22-11-3-2-7-21(22)14-23(25)26)18-8-5-10-20(13-18)19-9-4-6-17(12-19)15-24/h2-13,16H,14-15,24H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyUAVSLJDMEITWCV-INIZCTEOSA-N
MW361.44 g/mol
LogP4.58
Rot. Bonds7

About 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid

2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid (PubChem CID 125465818) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid
PubChem CID125465818
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid
SMILESC[C@H](Oc1ccccc1CC(=O)O)c1cccc(-c2cccc(CN)c2)c1
InChIInChI=1S/C23H23NO3/c1-16(27-22-11-3-2-7-21(22)14-23(25)26)18-8-5-10-20(13-18)19-9-4-6-17(12-19)15-24/h2-13,16H,14-15,24H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyUAVSLJDMEITWCV-INIZCTEOSA-N
XLogP4.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
2-[2-[[3-[3-(aminomethyl)phenyl]-5-(propan-2-ylamino)phenyl]methoxy]phenyl]acetic acid
CID 144778291
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
acetic acid;[3-[3-[1-(2-methylphenoxy)ethyl]-1-benzofuran-5-yl]phenyl]methanamine
CID 156725376
1-amino-3-(3-phenylphenyl)propan-2-one
CID 161234923
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
CID 117054311
2-[2-[[3-[3-(aminomethyl)phenyl]-5-(2-azaspiro[3.5]nonan-2-yl)phenyl]methoxy]phenyl]acetic acid
CID 172524455
2-[2-[[3-[3-(1-aminoethyl)-2-chlorophenyl]phenyl]methoxy]phenyl]acetic acid
CID 121347503
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560496
2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid
CID 139559991
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid (CID 125465818) is 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid is C[C@H](Oc1ccccc1CC(=O)O)c1cccc(-c2cccc(CN)c2)c1.
What is the InChIKey of 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid?
The InChIKey is UAVSLJDMEITWCV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16(27-22-11-3-2-7-21(22)14-23(25)26)18-8-5-10-20(13-18)19-9-4-6-17(12-19)15-24/h2-13,16H,14-15,24H2,1H3,(H,25,26)/t16-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid?
2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid has a molecular weight of 361.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-[3-[3-(aminomethyl)phenyl]phenyl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 125465818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).