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

C20H32N2O2 — CID 70500153

IUPAC1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)CNC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H32N2O2/c1-4-5-8-11-24-15-17(23)14-22-20(2,3)12-16-13-21-19-10-7-6-9-18(16)19/h6-7,9-10,13,17,21-23H,4-5,8,11-12,14-15H2,1-3H3
InChIKeyXWLRCCVKDCNRST-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.65
Rot. Bonds11

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

1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol (PubChem CID 70500153) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
PubChem CID70500153
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)CNC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H32N2O2/c1-4-5-8-11-24-15-17(23)14-22-20(2,3)12-16-13-21-19-10-7-6-9-18(16)19/h6-7,9-10,13,17,21-23H,4-5,8,11-12,14-15H2,1-3H3
InChIKeyXWLRCCVKDCNRST-UHFFFAOYSA-N
XLogP3.65
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-(3-methylphenoxy)propan-2-ol
CID 23330538
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]pyridine-3-carbonitrile
CID 154094807
3-(octacosoxymethyl)-1H-indole
CID 11512197
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
(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
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 103993473
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride
CID 19919936
3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride
CID 19919968
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol?
The IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol (CID 70500153) is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol.
What is the SMILES notation for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol?
The canonical SMILES for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol is CCCCCOCC(O)CNC(C)(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol?
The InChIKey is XWLRCCVKDCNRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-5-8-11-24-15-17(23)14-22-20(2,3)12-16-13-21-19-10-7-6-9-18(16)19/h6-7,9-10,13,17,21-23H,4-5,8,11-12,14-15H2,1-3H3.
What are the key properties of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol?
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 3.65, 11 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-pentoxypropan-2-ol is sourced from PubChem (CID 70500153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).