2-bromo-6-[(3-methoxypropylamino)methyl]phenol

C11H16BrNO2 — CID 61390597

IUPAC2-bromo-6-[(3-methoxypropylamino)methyl]phenol
SMILESCOCCCNCc1cccc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-15-7-3-6-13-8-9-4-2-5-10(12)11(9)14/h2,4-5,13-14H,3,6-8H2,1H3
InChIKeyLHQFYSFOKHPHAD-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.28
Rot. Bonds6

About 2-bromo-6-[(3-methoxypropylamino)methyl]phenol

2-bromo-6-[(3-methoxypropylamino)methyl]phenol (PubChem CID 61390597) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-6-[(3-methoxypropylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(3-methoxypropylamino)methyl]phenol
PubChem CID61390597
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-bromo-6-[(3-methoxypropylamino)methyl]phenol
SMILESCOCCCNCc1cccc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-15-7-3-6-13-8-9-4-2-5-10(12)11(9)14/h2,4-5,13-14H,3,6-8H2,1H3
InChIKeyLHQFYSFOKHPHAD-UHFFFAOYSA-N
XLogP2.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 61390555
2-bromo-6-[(3-methylbutylamino)methyl]phenol
CID 61390268
2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833
N-[(2,3-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 60657619
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
2-bromo-6-[(2-phenylsulfanylethylamino)methyl]phenol
CID 61392182
2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61392226
3-[(3-ethoxypropylamino)methyl]benzene-1,2-diol
CID 61319480

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-methoxypropylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(3-methoxypropylamino)methyl]phenol (CID 61390597) is 2-bromo-6-[(3-methoxypropylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(3-methoxypropylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(3-methoxypropylamino)methyl]phenol is COCCCNCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[(3-methoxypropylamino)methyl]phenol?
The InChIKey is LHQFYSFOKHPHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-15-7-3-6-13-8-9-4-2-5-10(12)11(9)14/h2,4-5,13-14H,3,6-8H2,1H3.
What are the key properties of 2-bromo-6-[(3-methoxypropylamino)methyl]phenol?
2-bromo-6-[(3-methoxypropylamino)methyl]phenol has a molecular weight of 274.16 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-methoxypropylamino)methyl]phenol is sourced from PubChem (CID 61390597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).