1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol

C20H23ClN2O — CID 11236495

IUPAC1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-20(2,11-15-12-22-18-9-4-3-8-17(15)18)23-13-19(24)14-6-5-7-16(21)10-14/h3-10,12,19,22-24H,11,13H2,1-2H3
InChIKeyYLOWXWHAWCOZBC-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.47
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol

1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol (PubChem CID 11236495) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol
PubChem CID11236495
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-20(2,11-15-12-22-18-9-4-3-8-17(15)18)23-13-19(24)14-6-5-7-16(21)10-14/h3-10,12,19,22-24H,11,13H2,1-2H3
InChIKeyYLOWXWHAWCOZBC-UHFFFAOYSA-N
XLogP4.47
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol (CID 11236495) is 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol is CC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
The InChIKey is YLOWXWHAWCOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-20(2,11-15-12-22-18-9-4-3-8-17(15)18)23-13-19(24)14-6-5-7-16(21)10-14/h3-10,12,19,22-24H,11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol has a molecular weight of 342.87 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 11236495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).