2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol

C16H17Cl2NO — CID 783643

IUPAC2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-6-14(16(18)10-15)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2
InChIKeyCLOAXCIPFMCRNI-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.99
Rot. Bonds6

About 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol

2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol (PubChem CID 783643) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol
PubChem CID783643
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-6-14(16(18)10-15)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2
InChIKeyCLOAXCIPFMCRNI-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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol (CID 783643) is 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol?
The InChIKey is CLOAXCIPFMCRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c17-15-7-6-14(16(18)10-15)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2.
What are the key properties of 2-[benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol?
2-[benzyl-[(2,4-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-[(2,4-dichlorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 783643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).