2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol

C24H25Cl2NOS — CID 143010826

IUPAC2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol
SMILESOCCN(CS[C@@H](Cc1c(Cl)cccc1Cl)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25Cl2NOS/c25-22-12-7-13-23(26)21(22)16-24(20-10-5-2-6-11-20)29-18-27(14-15-28)17-19-8-3-1-4-9-19/h1-13,24,28H,14-18H2/t24-/m0/s1
InChIKeyQAWJDJGEWLFFHX-DEOSSOPVSA-N
MW446.44 g/mol
LogP6.46
Rot. Bonds10

About 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol

2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol (PubChem CID 143010826) has the molecular formula C24H25Cl2NOS and a molecular weight of 446.44 g/mol. Its IUPAC name is 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol
PubChem CID143010826
Molecular FormulaC24H25Cl2NOS
Molecular Weight446.44 g/mol
Exact Mass445.10
IUPAC Name2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol
SMILESOCCN(CS[C@@H](Cc1c(Cl)cccc1Cl)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25Cl2NOS/c25-22-12-7-13-23(26)21(22)16-24(20-10-5-2-6-11-20)29-18-27(14-15-28)17-19-8-3-1-4-9-19/h1-13,24,28H,14-18H2/t24-/m0/s1
InChIKeyQAWJDJGEWLFFHX-DEOSSOPVSA-N
XLogP6.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.44
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
2-[benzyl-[(3R)-4-(2-chloro-6-fluorophenyl)-3-phenylbutyl]amino]ethanol;methanol
CID 143010756
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
CID 62890775
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
4-[[(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-phenylethyl]amino]-3-chlorophenol
CID 59508773
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol (CID 143010826) is 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol is OCCN(CS[C@@H](Cc1c(Cl)cccc1Cl)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol?
The InChIKey is QAWJDJGEWLFFHX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25Cl2NOS/c25-22-12-7-13-23(26)21(22)16-24(20-10-5-2-6-11-20)29-18-27(14-15-28)17-19-8-3-1-4-9-19/h1-13,24,28H,14-18H2/t24-/m0/s1.
What are the key properties of 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol?
2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol has a molecular weight of 446.44 g/mol, XLogP of 6.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol is sourced from PubChem (CID 143010826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).