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

C18H22ClNO — CID 18628125

IUPAC1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol
SMILESCc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/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
InChIKeyQPDOSICVYNAJIA-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.90
Rot. Bonds6

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

1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol (PubChem CID 18628125) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol
PubChem CID18628125
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol
SMILESCc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/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
InChIKeyQPDOSICVYNAJIA-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)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 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol (CID 18628125) is 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol is Cc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol?
The InChIKey is QPDOSICVYNAJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/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.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol has a molecular weight of 303.83 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol is sourced from PubChem (CID 18628125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).