2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol

C13H21BrN2O — CID 82971726

IUPAC2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
SMILESCCNC(C)c1cc(Br)ccc1N(C)CCO
InChIInChI=1S/C13H21BrN2O/c1-4-15-10(2)12-9-11(14)5-6-13(12)16(3)7-8-17/h5-6,9-10,15,17H,4,7-8H2,1-3H3
InChIKeyNYKBHBLAJGXRAL-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.55
Rot. Bonds6

About 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol

2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol (PubChem CID 82971726) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
PubChem CID82971726
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
SMILESCCNC(C)c1cc(Br)ccc1N(C)CCO
InChIInChI=1S/C13H21BrN2O/c1-4-15-10(2)12-9-11(14)5-6-13(12)16(3)7-8-17/h5-6,9-10,15,17H,4,7-8H2,1-3H3
InChIKeyNYKBHBLAJGXRAL-UHFFFAOYSA-N
XLogP2.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[1-(ethylamino)ethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 82967945
3-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]-2-methylpropanenitrile
CID 82968217
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82955256
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968775
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986
4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
CID 82971713

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol (CID 82971726) is 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol is CCNC(C)c1cc(Br)ccc1N(C)CCO.
What is the InChIKey of 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol?
The InChIKey is NYKBHBLAJGXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-15-10(2)12-9-11(14)5-6-13(12)16(3)7-8-17/h5-6,9-10,15,17H,4,7-8H2,1-3H3.
What are the key properties of 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol?
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol has a molecular weight of 301.23 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol is sourced from PubChem (CID 82971726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).