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

C13H19BrN2O2 — CID 55172189

IUPAC2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCOc1cc(CN(C)C2CCNC2)cc(Br)c1O
InChIInChI=1S/C13H19BrN2O2/c1-16(10-3-4-15-7-10)8-9-5-11(14)13(17)12(6-9)18-2/h5-6,10,15,17H,3-4,7-8H2,1-2H3
InChIKeyCUKVZNRGVGABSX-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.96
Rot. Bonds4

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

2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 55172189) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
PubChem CID55172189
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCOc1cc(CN(C)C2CCNC2)cc(Br)c1O
InChIInChI=1S/C13H19BrN2O2/c1-16(10-3-4-15-7-10)8-9-5-11(14)13(17)12(6-9)18-2/h5-6,10,15,17H,3-4,7-8H2,1-2H3
InChIKeyCUKVZNRGVGABSX-UHFFFAOYSA-N
XLogP1.96
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118959
2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol
CID 104973956
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (CID 55172189) is 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is COc1cc(CN(C)C2CCNC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is CUKVZNRGVGABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-16(10-3-4-15-7-10)8-9-5-11(14)13(17)12(6-9)18-2/h5-6,10,15,17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 315.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 55172189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).