2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol

C15H24BrNO2 — CID 115324827

IUPAC2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol
SMILESCOc1cc(CNCCCCC(C)C)cc(Br)c1O
InChIInChI=1S/C15H24BrNO2/c1-11(2)6-4-5-7-17-10-12-8-13(16)15(18)14(9-12)19-3/h8-9,11,17-18H,4-7,10H2,1-3H3
InChIKeyXVMMFTXGAMARKD-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.08
Rot. Bonds8

About 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol

2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol (PubChem CID 115324827) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol
PubChem CID115324827
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol
SMILESCOc1cc(CNCCCCC(C)C)cc(Br)c1O
InChIInChI=1S/C15H24BrNO2/c1-11(2)6-4-5-7-17-10-12-8-13(16)15(18)14(9-12)19-3/h8-9,11,17-18H,4-7,10H2,1-3H3
InChIKeyXVMMFTXGAMARKD-UHFFFAOYSA-N
XLogP4.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115671182
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
2-bromo-4-[[3-(cyclopropylmethoxy)propylamino]methyl]-6-methoxyphenol
CID 28718642
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-ethylethanesulfonamide
CID 103720596
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5-methylhexan-1-amine
CID 115644476
2,6-dibromo-4-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 113218805

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol (CID 115324827) is 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol is COc1cc(CNCCCCC(C)C)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol?
The InChIKey is XVMMFTXGAMARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-11(2)6-4-5-7-17-10-12-8-13(16)15(18)14(9-12)19-3/h8-9,11,17-18H,4-7,10H2,1-3H3.
What are the key properties of 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol?
2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol has a molecular weight of 330.27 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol is sourced from PubChem (CID 115324827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).