3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol

C11H16BrNO — CID 178168952

IUPAC3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol
SMILESCNCc1ccc(Br)cc1CCCO
InChIInChI=1S/C11H16BrNO/c1-13-8-10-4-5-11(12)7-9(10)3-2-6-14/h4-5,7,13-14H,2-3,6,8H2,1H3
InChIKeyXTFROQSLTKUGRZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.09
Rot. Bonds5

About 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol

3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol (PubChem CID 178168952) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol
PubChem CID178168952
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol
SMILESCNCc1ccc(Br)cc1CCCO
InChIInChI=1S/C11H16BrNO/c1-13-8-10-4-5-11(12)7-9(10)3-2-6-14/h4-5,7,13-14H,2-3,6,8H2,1H3
InChIKeyXTFROQSLTKUGRZ-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
CID 59557756
2-[5-bromo-2-(methoxymethyl)phenyl]ethanol
CID 117364057
4-bromo-2-(methylaminomethyl)benzaldehyde
CID 178141211
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
CID 81105522
1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine
CID 63805885
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
CID 114060273

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol (CID 178168952) is 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol is CNCc1ccc(Br)cc1CCCO.
What is the InChIKey of 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol?
The InChIKey is XTFROQSLTKUGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-13-8-10-4-5-11(12)7-9(10)3-2-6-14/h4-5,7,13-14H,2-3,6,8H2,1H3.
What are the key properties of 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol?
3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol is sourced from PubChem (CID 178168952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).