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

C11H17BrN2O — CID 62909377

IUPAC2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
SMILESCC(N)c1ccc(N(C)CCO)c(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-8(13)9-3-4-11(10(12)7-9)14(2)5-6-15/h3-4,7-8,15H,5-6,13H2,1-2H3
InChIKeyNREFSOVNHLQCJS-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.90
Rot. Bonds4

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

2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol (PubChem CID 62909377) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
PubChem CID62909377
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
SMILESCC(N)c1ccc(N(C)CCO)c(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-8(13)9-3-4-11(10(12)7-9)14(2)5-6-15/h3-4,7-8,15H,5-6,13H2,1-2H3
InChIKeyNREFSOVNHLQCJS-UHFFFAOYSA-N
XLogP1.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694904
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-[(1S)-1-aminoethyl]-2-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81055137
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 79009092
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868601
4-[(1S)-1-aminoethyl]-2-bromo-N-(2,2-difluoroethyl)-N-methylaniline
CID 104870977
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
CID 62908844
4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63534132
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832
1-[4-[(1R)-1-aminoethyl]-2-bromo-N-methylanilino]-3-methoxypropan-2-ol
CID 55188528
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 55190467

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol?
The IUPAC name of 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol (CID 62909377) is 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol is CC(N)c1ccc(N(C)CCO)c(Br)c1.
What is the InChIKey of 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol?
The InChIKey is NREFSOVNHLQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(13)9-3-4-11(10(12)7-9)14(2)5-6-15/h3-4,7-8,15H,5-6,13H2,1-2H3.
What are the key properties of 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol?
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol has a molecular weight of 273.17 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol is sourced from PubChem (CID 62909377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).