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

C22H27ClN2O2 — CID 11349698

IUPAC(1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C22H27ClN2O2/c1-3-10-27-21-9-5-8-19-17(13-25-22(19)21)11-15(2)24-14-20(26)16-6-4-7-18(23)12-16/h4-9,12-13,15,20,24-26H,3,10-11,14H2,1-2H3/t15?,20-/m0/s1
InChIKeyGOYCSHYIDOQMRL-MBABXSBOSA-N
MW386.92 g/mol
LogP4.86
Rot. Bonds9

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

(1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11349698) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11349698
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C22H27ClN2O2/c1-3-10-27-21-9-5-8-19-17(13-25-22(19)21)11-15(2)24-14-20(26)16-6-4-7-18(23)12-16/h4-9,12-13,15,20,24-26H,3,10-11,14H2,1-2H3/t15?,20-/m0/s1
InChIKeyGOYCSHYIDOQMRL-MBABXSBOSA-N
XLogP4.86
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-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-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11349698) is (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is CCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is GOYCSHYIDOQMRL-MBABXSBOSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-3-10-27-21-9-5-8-19-17(13-25-22(19)21)11-15(2)24-14-20(26)16-6-4-7-18(23)12-16/h4-9,12-13,15,20,24-26H,3,10-11,14H2,1-2H3/t15?,20-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[1-(7-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 386.92 g/mol, XLogP of 4.86, 9 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-propoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11349698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).