2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol

C14H23BrN2O — CID 61424896

IUPAC2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
SMILESCCCN(CCO)c1cc(Br)ccc1CNCC
InChIInChI=1S/C14H23BrN2O/c1-3-7-17(8-9-18)14-10-13(15)6-5-12(14)11-16-4-2/h5-6,10,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyVQYOGYUMBUICSK-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.77
Rot. Bonds8

About 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol

2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol (PubChem CID 61424896) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
PubChem CID61424896
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
SMILESCCCN(CCO)c1cc(Br)ccc1CNCC
InChIInChI=1S/C14H23BrN2O/c1-3-7-17(8-9-18)14-10-13(15)6-5-12(14)11-16-4-2/h5-6,10,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyVQYOGYUMBUICSK-UHFFFAOYSA-N
XLogP2.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol?
The IUPAC name of 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol (CID 61424896) is 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol.
What is the SMILES notation for 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol?
The canonical SMILES for 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol is CCCN(CCO)c1cc(Br)ccc1CNCC.
What is the InChIKey of 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol?
The InChIKey is VQYOGYUMBUICSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-3-7-17(8-9-18)14-10-13(15)6-5-12(14)11-16-4-2/h5-6,10,16,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol?
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol has a molecular weight of 315.26 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol is sourced from PubChem (CID 61424896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).