2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol

C13H19BrN2O — CID 54879396

IUPAC2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C13H19BrN2O/c1-16(6-7-17)13-8-11(14)3-2-10(13)9-15-12-4-5-12/h2-3,8,12,15,17H,4-7,9H2,1H3
InChIKeySPPIWZOETNQEPQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.13
Rot. Bonds6

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

2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol (PubChem CID 54879396) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
PubChem CID54879396
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C13H19BrN2O/c1-16(6-7-17)13-8-11(14)3-2-10(13)9-15-12-4-5-12/h2-3,8,12,15,17H,4-7,9H2,1H3
InChIKeySPPIWZOETNQEPQ-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

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057223
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442495
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol (CID 54879396) is 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol is CN(CCO)c1cc(Br)ccc1CNC1CC1.
What is the InChIKey of 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
The InChIKey is SPPIWZOETNQEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(6-7-17)13-8-11(14)3-2-10(13)9-15-12-4-5-12/h2-3,8,12,15,17H,4-7,9H2,1H3.
What are the key properties of 2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]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-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol is sourced from PubChem (CID 54879396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).