1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol

C20H26N2O — CID 86886293

IUPAC1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol
SMILESCC1CN(CC(O)CN(C)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H26N2O/c1-16-12-22(20-11-7-6-10-19(16)20)15-18(23)14-21(2)13-17-8-4-3-5-9-17/h3-11,16,18,23H,12-15H2,1-2H3
InChIKeySGGLCUIVKXUSOF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.10
Rot. Bonds6

About 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol

1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol (PubChem CID 86886293) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol
PubChem CID86886293
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol
SMILESCC1CN(CC(O)CN(C)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H26N2O/c1-16-12-22(20-11-7-6-10-19(16)20)15-18(23)14-21(2)13-17-8-4-3-5-9-17/h3-11,16,18,23H,12-15H2,1-2H3
InChIKeySGGLCUIVKXUSOF-UHFFFAOYSA-N
XLogP3.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol (CID 86886293) is 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol is CC1CN(CC(O)CN(C)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
The InChIKey is SGGLCUIVKXUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-12-22(20-11-7-6-10-19(16)20)15-18(23)14-21(2)13-17-8-4-3-5-9-17/h3-11,16,18,23H,12-15H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol has a molecular weight of 310.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol is sourced from PubChem (CID 86886293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).