2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol

C10H15BrN2O — CID 60961571

IUPAC2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
SMILESCN(CCO)c1cc(Br)ccc1CN
InChIInChI=1S/C10H15BrN2O/c1-13(4-5-14)10-6-9(11)3-2-8(10)7-12/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyOOOZLOZZCPPUOG-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.34
Rot. Bonds4

About 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol

2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol (PubChem CID 60961571) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
PubChem CID60961571
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
SMILESCN(CCO)c1cc(Br)ccc1CN
InChIInChI=1S/C10H15BrN2O/c1-13(4-5-14)10-6-9(11)3-2-8(10)7-12/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyOOOZLOZZCPPUOG-UHFFFAOYSA-N
XLogP1.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol
CID 114061761
2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
CID 102631472
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
CID 114380401
[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol (CID 60961571) is 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol is CN(CCO)c1cc(Br)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol?
The InChIKey is OOOZLOZZCPPUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-13(4-5-14)10-6-9(11)3-2-8(10)7-12/h2-3,6,14H,4-5,7,12H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol?
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol has a molecular weight of 259.15 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol is sourced from PubChem (CID 60961571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).