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

C22H28N2O2 — CID 23330538

IUPAC1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC(C)(C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H28N2O2/c1-16-7-6-8-19(11-16)26-15-18(25)14-24-22(2,3)12-17-13-23-21-10-5-4-9-20(17)21/h4-11,13,18,23-25H,12,14-15H2,1-3H3
InChIKeyLJGBNSMSYPBVJV-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.83
Rot. Bonds8

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

1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 23330538) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID23330538
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC(C)(C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H28N2O2/c1-16-7-6-8-19(11-16)26-15-18(25)14-24-22(2,3)12-17-13-23-21-10-5-4-9-20(17)21/h4-11,13,18,23-25H,12,14-15H2,1-3H3
InChIKeyLJGBNSMSYPBVJV-UHFFFAOYSA-N
XLogP3.83
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
CID 12619618
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
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153
(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-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480
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
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol (CID 23330538) is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNC(C)(C)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is LJGBNSMSYPBVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-7-6-8-19(11-16)26-15-18(25)14-24-22(2,3)12-17-13-23-21-10-5-4-9-20(17)21/h4-11,13,18,23-25H,12,14-15H2,1-3H3.
What are the key properties of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol?
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 352.48 g/mol, XLogP of 3.83, 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-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 23330538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).