2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol

C16H17Cl2NO — CID 6456340

IUPAC2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-4-8-16(18)14(15)12-19(9-10-20)11-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyOLUCOSICIOJGTN-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.99
Rot. Bonds6

About 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol

2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol (PubChem CID 6456340) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
PubChem CID6456340
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-4-8-16(18)14(15)12-19(9-10-20)11-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyOLUCOSICIOJGTN-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl-[(2,6-dichlorophenyl)methyl]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-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
2-[benzyl-[[(1S)-2-(2,6-dichlorophenyl)-1-phenylethyl]sulfanylmethyl]amino]ethanol
CID 143010826
2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
CID 62890775
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
CID 62892350
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl-[(3R)-4-(2-chloro-6-fluorophenyl)-3-phenylbutyl]amino]ethanol;methanol
CID 143010756
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 10270921
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
CID 3787915
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol (CID 6456340) is 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol?
The InChIKey is OLUCOSICIOJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c17-15-7-4-8-16(18)14(15)12-19(9-10-20)11-13-5-2-1-3-6-13/h1-8,20H,9-12H2.
What are the key properties of 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol?
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol has a molecular weight of 310.22 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 6456340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).