(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride

C34H39Cl3N2O3 — CID 44522830

IUPAC(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
SMILESC[C@H](Cc1ccc(Oc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C34H38Cl2N2O3.ClH/c1-23(37-21-33(39)27-5-3-7-29(35)19-27)17-25-9-13-31(14-10-25)41-32-15-11-26(12-16-32)18-24(2)38-22-34(40)28-6-4-8-30(36)20-28;/h3-16,19-20,23-24,33-34,37-40H,17-18,21-22H2,1-2H3;1H/t23-,24-,33+,34+;/m1./s1
InChIKeyTXAIHVRXMSLWCH-USHFZQNASA-N
MW630.06 g/mol
LogP7.72
Rot. Bonds14

About (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride

(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride (PubChem CID 44522830) has the molecular formula C34H39Cl3N2O3 and a molecular weight of 630.06 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
PubChem CID44522830
Molecular FormulaC34H39Cl3N2O3
Molecular Weight630.06 g/mol
Exact Mass628.20
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
SMILESC[C@H](Cc1ccc(Oc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C34H38Cl2N2O3.ClH/c1-23(37-21-33(39)27-5-3-7-29(35)19-27)17-25-9-13-31(14-10-25)41-32-15-11-26(12-16-32)18-24(2)38-22-34(40)28-6-4-8-30(36)20-28;/h3-16,19-20,23-24,33-34,37-40H,17-18,21-22H2,1-2H3;1H/t23-,24-,33+,34+;/m1./s1
InChIKeyTXAIHVRXMSLWCH-USHFZQNASA-N
XLogP7.72
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.06
LogP ≤ 57.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride 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-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride (CID 44522830) is (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride is C[C@H](Cc1ccc(Oc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1.Cl.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride?
The InChIKey is TXAIHVRXMSLWCH-USHFZQNASA-N. The full InChI is InChI=1S/C34H38Cl2N2O3.ClH/c1-23(37-21-33(39)27-5-3-7-29(35)19-27)17-25-9-13-31(14-10-25)41-32-15-11-26(12-16-32)18-24(2)38-22-34(40)28-6-4-8-30(36)20-28;/h3-16,19-20,23-24,33-34,37-40H,17-18,21-22H2,1-2H3;1H/t23-,24-,33+,34+;/m1./s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride?
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride has a molecular weight of 630.06 g/mol, XLogP of 7.72, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 44522830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).