2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid

C24H22N2O3 — CID 139561659

IUPAC2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid
SMILESNCc1cccc(-c2cc(COc3ccccc3CC(=O)O)cc3[nH]ccc23)c1
InChIInChI=1S/C24H22N2O3/c25-14-16-4-3-6-18(10-16)21-11-17(12-22-20(21)8-9-26-22)15-29-23-7-2-1-5-19(23)13-24(27)28/h1-12,26H,13-15,25H2,(H,27,28)
InChIKeyKVGULRWMPIAFKB-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.50
Rot. Bonds7

About 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid

2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid (PubChem CID 139561659) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid
PubChem CID139561659
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid
SMILESNCc1cccc(-c2cc(COc3ccccc3CC(=O)O)cc3[nH]ccc23)c1
InChIInChI=1S/C24H22N2O3/c25-14-16-4-3-6-18(10-16)21-11-17(12-22-20(21)8-9-26-22)15-29-23-7-2-1-5-19(23)13-24(27)28/h1-12,26H,13-15,25H2,(H,27,28)
InChIKeyKVGULRWMPIAFKB-UHFFFAOYSA-N
XLogP4.50
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid with MolForge

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Related Compounds

Iptacopan
CID 90467622
5-Benzyloxyindole-3-acetic acid
CID 96340
iptacopan hydrochloride anhydrous
CID 117823351
2-[(1S)-5-{3-[4-(1H-indol-6-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110438
2-[(1S)-5-[3-(1H-indol-5-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776387
2-[(1S)-5-{3-[(4-methyl-1H-indol-5-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776389
2-[(1S)-5-{3-[(4-propyl-1H-indol-5-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776390
2-[(1S)-5-(3-{[4-(prop-2-en-1-yl)-1H-indol-5-yl]oxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776392
5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole succinate
CID 108028
4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethylphenylacetic acid
CID 9803551
US9682968, Example-21a
CID 117822706
2-(1H-indol-6-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 141533898

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid (CID 139561659) is 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid is NCc1cccc(-c2cc(COc3ccccc3CC(=O)O)cc3[nH]ccc23)c1.
What is the InChIKey of 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid?
The InChIKey is KVGULRWMPIAFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c25-14-16-4-3-6-18(10-16)21-11-17(12-22-20(21)8-9-26-22)15-29-23-7-2-1-5-19(23)13-24(27)28/h1-12,26H,13-15,25H2,(H,27,28).
What are the key properties of 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid?
2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 139561659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).