2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol

C17H28BrNO2 — CID 82966035

IUPAC2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(Cc1cc(Br)c(O)c(OC)c1)CC(C)C
InChIInChI=1S/C17H28BrNO2/c1-6-14(7-2)19(10-12(3)4)11-13-8-15(18)17(20)16(9-13)21-5/h8-9,12,14,20H,6-7,10-11H2,1-5H3
InChIKeyZZJJDXFAZRBWTG-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.81
Rot. Bonds8

About 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol

2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82966035) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82966035
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(Cc1cc(Br)c(O)c(OC)c1)CC(C)C
InChIInChI=1S/C17H28BrNO2/c1-6-14(7-2)19(10-12(3)4)11-13-8-15(18)17(20)16(9-13)21-5/h8-9,12,14,20H,6-7,10-11H2,1-5H3
InChIKeyZZJJDXFAZRBWTG-UHFFFAOYSA-N
XLogP4.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 65057140
2-bromo-6-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982114
2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79483242
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629
2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977073
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
CID 82978596
2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol
CID 115324827
2-bromo-4-[[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]amino]methyl]-6-methoxyphenol
CID 138006209
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetate
CID 7016572
2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 107740422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol (CID 82966035) is 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol is CCC(CC)N(Cc1cc(Br)c(O)c(OC)c1)CC(C)C.
What is the InChIKey of 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is ZZJJDXFAZRBWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-6-14(7-2)19(10-12(3)4)11-13-8-15(18)17(20)16(9-13)21-5/h8-9,12,14,20H,6-7,10-11H2,1-5H3.
What are the key properties of 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 358.32 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82966035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).