(1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol

C21H25ClN2O2 — CID 11199616

IUPAC(1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C21H25ClN2O2/c1-3-26-20-9-5-8-18-16(12-24-21(18)20)10-14(2)23-13-19(25)15-6-4-7-17(22)11-15/h4-9,11-12,14,19,23-25H,3,10,13H2,1-2H3/t14?,19-/m0/s1
InChIKeyJIQLFJFMURQOMY-PKDNWHCCSA-N
MW372.90 g/mol
LogP4.47
Rot. Bonds8

About (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11199616) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11199616
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C21H25ClN2O2/c1-3-26-20-9-5-8-18-16(12-24-21(18)20)10-14(2)23-13-19(25)15-6-4-7-17(22)11-15/h4-9,11-12,14,19,23-25H,3,10,13H2,1-2H3/t14?,19-/m0/s1
InChIKeyJIQLFJFMURQOMY-PKDNWHCCSA-N
XLogP4.47
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11199616) is (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is CCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is JIQLFJFMURQOMY-PKDNWHCCSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-26-20-9-5-8-18-16(12-24-21(18)20)10-14(2)23-13-19(25)15-6-4-7-17(22)11-15/h4-9,11-12,14,19,23-25H,3,10,13H2,1-2H3/t14?,19-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 372.90 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[1-(7-ethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11199616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).