1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol

C25H32N4O — CID 166234381

IUPAC1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1ccc2[nH]ccc2c1)CC(O)CN(CC)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C25H32N4O/c1-3-28(15-19-5-7-24-21(13-19)9-11-26-24)17-23(30)18-29(4-2)16-20-6-8-25-22(14-20)10-12-27-25/h5-14,23,26-27,30H,3-4,15-18H2,1-2H3
InChIKeyPFLWDWAYAZMWOQ-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.35
Rot. Bonds10

About 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol

1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol (PubChem CID 166234381) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
PubChem CID166234381
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1ccc2[nH]ccc2c1)CC(O)CN(CC)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C25H32N4O/c1-3-28(15-19-5-7-24-21(13-19)9-11-26-24)17-23(30)18-29(4-2)16-20-6-8-25-22(14-20)10-12-27-25/h5-14,23,26-27,30H,3-4,15-18H2,1-2H3
InChIKeyPFLWDWAYAZMWOQ-UHFFFAOYSA-N
XLogP4.35
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044757
N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044837
N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide
CID 119044841
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine
CID 166219079
N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
CID 103102150
(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide
CID 124864084
5-(4-methylpentyl)-1H-indole
CID 143660626
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167885299
N-(2-hydroxypropyl)-2-(1H-indol-5-yl)acetamide
CID 84577469
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol (CID 166234381) is 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol is CCN(Cc1ccc2[nH]ccc2c1)CC(O)CN(CC)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol?
The InChIKey is PFLWDWAYAZMWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-28(15-19-5-7-24-21(13-19)9-11-26-24)17-23(30)18-29(4-2)16-20-6-8-25-22(14-20)10-12-27-25/h5-14,23,26-27,30H,3-4,15-18H2,1-2H3.
What are the key properties of 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol?
1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol has a molecular weight of 404.56 g/mol, XLogP of 4.35, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 166234381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).