3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride

C24H33ClN2O3 — CID 19919968

IUPAC3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride
SMILESCC(C)COc1ccc(O)cc1OCCNC(C)(C)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C24H32N2O3.ClH/c1-17(2)16-29-22-10-9-19(27)13-23(22)28-12-11-26-24(3,4)14-18-15-25-21-8-6-5-7-20(18)21;/h5-10,13,15,17,25-27H,11-12,14,16H2,1-4H3;1H
InChIKeyYOSGPHWUPVSYLM-UHFFFAOYSA-N
MW432.99 g/mol
LogP5.32
Rot. Bonds10

About 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride

3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride (PubChem CID 19919968) has the molecular formula C24H33ClN2O3 and a molecular weight of 432.99 g/mol. Its IUPAC name is 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride.

Molecular Properties

Compound Name3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride
PubChem CID19919968
Molecular FormulaC24H33ClN2O3
Molecular Weight432.99 g/mol
Exact Mass432.22
IUPAC Name3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride
SMILESCC(C)COc1ccc(O)cc1OCCNC(C)(C)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C24H32N2O3.ClH/c1-17(2)16-29-22-10-9-19(27)13-23(22)28-12-11-26-24(3,4)14-18-15-25-21-8-6-5-7-20(18)21;/h5-10,13,15,17,25-27H,11-12,14,16H2,1-4H3;1H
InChIKeyYOSGPHWUPVSYLM-UHFFFAOYSA-N
XLogP5.32
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.99
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride
CID 19919936
1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine
CID 19919967
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-pentoxypropan-2-ol
CID 70500153
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-phenoxypropan-2-ol
CID 12619618
2-methyl-N-[2-[2-(2-methylpropoxy)phenoxy]ethyl]-1-(2-methylsulfonyl-1H-indol-3-yl)propan-2-amine
CID 19919914
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
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
2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
CID 21325148
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride?
The IUPAC name of 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride (CID 19919968) is 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride.
What is the SMILES notation for 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride?
The canonical SMILES for 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride is CC(C)COc1ccc(O)cc1OCCNC(C)(C)Cc1c[nH]c2ccccc12.Cl.
What is the InChIKey of 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride?
The InChIKey is YOSGPHWUPVSYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3.ClH/c1-17(2)16-29-22-10-9-19(27)13-23(22)28-12-11-26-24(3,4)14-18-15-25-21-8-6-5-7-20(18)21;/h5-10,13,15,17,25-27H,11-12,14,16H2,1-4H3;1H.
What are the key properties of 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride?
3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride has a molecular weight of 432.99 g/mol, XLogP of 5.32, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride is sourced from PubChem (CID 19919968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).