2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol

C16H18ClNO — CID 783223

IUPAC2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c17-16-8-6-15(7-9-16)13-18(10-11-19)12-14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyCZZQODMVFFVTMN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.33
Rot. Bonds6

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

2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol (PubChem CID 783223) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol
PubChem CID783223
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c17-16-8-6-15(7-9-16)13-18(10-11-19)12-14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyCZZQODMVFFVTMN-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol (CID 783223) is 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol?
The InChIKey is CZZQODMVFFVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-16-8-6-15(7-9-16)13-18(10-11-19)12-14-4-2-1-3-5-14/h1-9,19H,10-13H2.
What are the key properties of 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol?
2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol has a molecular weight of 275.78 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(4-chlorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 783223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).