(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride

C18H23Cl2NO — CID 44522710

IUPAC(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
SMILESCc1ccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C18H22ClNO.ClH/c1-13-6-8-15(9-7-13)10-14(2)20-12-18(21)16-4-3-5-17(19)11-16;/h3-9,11,14,18,20-21H,10,12H2,1-2H3;1H/t14?,18-;/m0./s1
InChIKeyZYINWECYDUKPLV-XYGCWZSBSA-N
MW340.29 g/mol
LogP4.32
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride

(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride (PubChem CID 44522710) has the molecular formula C18H23Cl2NO and a molecular weight of 340.29 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
PubChem CID44522710
Molecular FormulaC18H23Cl2NO
Molecular Weight340.29 g/mol
Exact Mass339.12
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
SMILESCc1ccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C18H22ClNO.ClH/c1-13-6-8-15(9-7-13)10-14(2)20-12-18(21)16-4-3-5-17(19)11-16;/h3-9,11,14,18,20-21H,10,12H2,1-2H3;1H/t14?,18-;/m0./s1
InChIKeyZYINWECYDUKPLV-XYGCWZSBSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]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-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride (CID 44522710) is (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride is Cc1ccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)cc1.Cl.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
The InChIKey is ZYINWECYDUKPLV-XYGCWZSBSA-N. The full InChI is InChI=1S/C18H22ClNO.ClH/c1-13-6-8-15(9-7-13)10-14(2)20-12-18(21)16-4-3-5-17(19)11-16;/h3-9,11,14,18,20-21H,10,12H2,1-2H3;1H/t14?,18-;/m0./s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride has a molecular weight of 340.29 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride is sourced from PubChem (CID 44522710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).