2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol

C13H19BrN2O — CID 54994722

IUPAC2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(Br)cc1N(CCO)C1CC1
InChIInChI=1S/C13H19BrN2O/c1-15-9-10-2-3-11(14)8-13(10)16(6-7-17)12-4-5-12/h2-3,8,12,15,17H,4-7,9H2,1H3
InChIKeyTZRNBSAYAIOVCF-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.13
Rot. Bonds6

About 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol

2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol (PubChem CID 54994722) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
PubChem CID54994722
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(Br)cc1N(CCO)C1CC1
InChIInChI=1S/C13H19BrN2O/c1-15-9-10-2-3-11(14)8-13(10)16(6-7-17)12-4-5-12/h2-3,8,12,15,17H,4-7,9H2,1H3
InChIKeyTZRNBSAYAIOVCF-UHFFFAOYSA-N
XLogP2.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
CID 114055126
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
2-[2-bromo-N-cyclobutyl-4-(methylaminomethyl)anilino]ethanol
CID 114062871
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol (CID 54994722) is 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol is CNCc1ccc(Br)cc1N(CCO)C1CC1.
What is the InChIKey of 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol?
The InChIKey is TZRNBSAYAIOVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-15-9-10-2-3-11(14)8-13(10)16(6-7-17)12-4-5-12/h2-3,8,12,15,17H,4-7,9H2,1H3.
What are the key properties of 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol?
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol has a molecular weight of 299.21 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 54994722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).