2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol

C23H22N2O2 — CID 54767837

IUPAC2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol
SMILESNC(CO)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12
InChIInChI=1S/C23H22N2O2/c24-19(15-26)12-18-14-25-23-11-8-17(13-22(18)23)16-6-9-21(10-7-16)27-20-4-2-1-3-5-20/h1-11,13-14,19,25-26H,12,15,24H2
InChIKeyWKTLLHTYWIYNNP-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.49
Rot. Bonds6

About 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol

2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol (PubChem CID 54767837) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol
PubChem CID54767837
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol
SMILESNC(CO)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12
InChIInChI=1S/C23H22N2O2/c24-19(15-26)12-18-14-25-23-11-8-17(13-22(18)23)16-6-9-21(10-7-16)27-20-4-2-1-3-5-20/h1-11,13-14,19,25-26H,12,15,24H2
InChIKeyWKTLLHTYWIYNNP-UHFFFAOYSA-N
XLogP4.49
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol (CID 54767837) is 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol is NC(CO)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12.
What is the InChIKey of 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol?
The InChIKey is WKTLLHTYWIYNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c24-19(15-26)12-18-14-25-23-11-8-17(13-22(18)23)16-6-9-21(10-7-16)27-20-4-2-1-3-5-20/h1-11,13-14,19,25-26H,12,15,24H2.
What are the key properties of 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol?
2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol has a molecular weight of 358.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propan-1-ol is sourced from PubChem (CID 54767837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).