4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol

C16H26N2O — CID 64796687

IUPAC4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-3-10-17-16(2,13-19)9-12-18-11-8-14-6-4-5-7-15(14)18/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeyXEGQXPLRQPYYGB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds7

About 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol

4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64796687) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64796687
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-3-10-17-16(2,13-19)9-12-18-11-8-14-6-4-5-7-15(14)18/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeyXEGQXPLRQPYYGB-UHFFFAOYSA-N
XLogP2.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64796909
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64786243
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156
6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64797124
5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106802798
2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
CID 81412714
1-butyl-2,3-dihydroindole
CID 4167209
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791594
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
2-cyclopropyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)propan-1-ol
CID 64798243
1-(2,3-dihydroindol-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834088

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol (CID 64796687) is 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is XEGQXPLRQPYYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-10-17-16(2,13-19)9-12-18-11-8-14-6-4-5-7-15(14)18/h4-7,17,19H,3,8-13H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64796687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).