2-[benzyl(ethyl)amino]ethanol

C11H17NO — CID 3053442

IUPAC2-[benzyl(ethyl)amino]ethanol
SMILESCCN(CCO)Cc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-12(8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyNSGZJRLXAKBRPC-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.50
Rot. Bonds5

About 2-[benzyl(ethyl)amino]ethanol

2-[benzyl(ethyl)amino]ethanol (PubChem CID 3053442) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]ethanol
PubChem CID3053442
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[benzyl(ethyl)amino]ethanol
SMILESCCN(CCO)Cc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-12(8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyNSGZJRLXAKBRPC-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]ethanol?
The IUPAC name of 2-[benzyl(ethyl)amino]ethanol (CID 3053442) is 2-[benzyl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(ethyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(ethyl)amino]ethanol is CCN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]ethanol?
The InChIKey is NSGZJRLXAKBRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-12(8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 2-[benzyl(ethyl)amino]ethanol?
2-[benzyl(ethyl)amino]ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]ethanol is sourced from PubChem (CID 3053442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).