2-bromo-6-[(2-methoxypropylamino)methyl]phenol

C11H16BrNO2 — CID 102696044

IUPAC2-bromo-6-[(2-methoxypropylamino)methyl]phenol
SMILESCOC(C)CNCc1cccc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-8(15-2)6-13-7-9-4-3-5-10(12)11(9)14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyUOUKESUWWMSXGA-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.28
Rot. Bonds5

About 2-bromo-6-[(2-methoxypropylamino)methyl]phenol

2-bromo-6-[(2-methoxypropylamino)methyl]phenol (PubChem CID 102696044) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-6-[(2-methoxypropylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(2-methoxypropylamino)methyl]phenol
PubChem CID102696044
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-bromo-6-[(2-methoxypropylamino)methyl]phenol
SMILESCOC(C)CNCc1cccc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-8(15-2)6-13-7-9-4-3-5-10(12)11(9)14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyUOUKESUWWMSXGA-UHFFFAOYSA-N
XLogP2.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(2-ethylbutylamino)methyl]phenol
CID 115616914
2-bromo-6-[(3-methylbutylamino)methyl]phenol
CID 61390268
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128
2-bromo-6-[(3-methoxypropylamino)methyl]phenol
CID 61390597
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol
CID 109380074
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
2-bromo-6-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]phenol
CID 79254797
4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
CID 102696377
2-bromo-6-[[(1-ethylcyclopropyl)methylamino]methyl]phenol
CID 103735468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-methoxypropylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(2-methoxypropylamino)methyl]phenol (CID 102696044) is 2-bromo-6-[(2-methoxypropylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(2-methoxypropylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(2-methoxypropylamino)methyl]phenol is COC(C)CNCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[(2-methoxypropylamino)methyl]phenol?
The InChIKey is UOUKESUWWMSXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8(15-2)6-13-7-9-4-3-5-10(12)11(9)14/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 2-bromo-6-[(2-methoxypropylamino)methyl]phenol?
2-bromo-6-[(2-methoxypropylamino)methyl]phenol has a molecular weight of 274.16 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-methoxypropylamino)methyl]phenol is sourced from PubChem (CID 102696044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).