1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol

C21H26N2O2 — CID 12619618

IUPAC1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(2,12-16-13-22-20-11-7-6-10-19(16)20)23-14-17(24)15-25-18-8-4-3-5-9-18/h3-11,13,17,22-24H,12,14-15H2,1-2H3
InChIKeyWDZDIEKLAXEABE-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.52
Rot. Bonds8

About 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol

1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 12619618) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
PubChem CID12619618
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(2,12-16-13-22-20-11-7-6-10-19(16)20)23-14-17(24)15-25-18-8-4-3-5-9-18/h3-11,13,17,22-24H,12,14-15H2,1-2H3
InChIKeyWDZDIEKLAXEABE-UHFFFAOYSA-N
XLogP3.52
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 12619640
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 12619630
(2S)-1-[4-(2,5-dihydro-1H-imidazol-2-yl)phenoxy]-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 91131383
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]pyridine-3-carbonitrile
CID 154094807
(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
CID 97070492
2-[2-hydroxy-3-[[1-(5-methoxy-1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile;hydrochloride
CID 12619658
3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]-1H-indole-6-carboxylic acid
CID 58847510
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
2-[1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-yl]oxy-2-oxoacetic acid
CID 57166434
4-[2-hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135719350

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol (CID 12619618) is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol is CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1.
What is the InChIKey of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is WDZDIEKLAXEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,12-16-13-22-20-11-7-6-10-19(16)20)23-14-17(24)15-25-18-8-4-3-5-9-18/h3-11,13,17,22-24H,12,14-15H2,1-2H3.
What are the key properties of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 338.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 12619618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).