3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol

C13H18BrNO2 — CID 66004445

IUPAC3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(Br)c(CNCC2CC(O)C2)c1
InChIInChI=1S/C13H18BrNO2/c1-17-12-2-3-13(14)10(6-12)8-15-7-9-4-11(16)5-9/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3
InChIKeyCWLDEDCAMAKYGL-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.32
Rot. Bonds5

About 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol

3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 66004445) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID66004445
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(Br)c(CNCC2CC(O)C2)c1
InChIInChI=1S/C13H18BrNO2/c1-17-12-2-3-13(14)10(6-12)8-15-7-9-4-11(16)5-9/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3
InChIKeyCWLDEDCAMAKYGL-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2-bromo-5-methoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527878
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 65324178
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
N-[(2-bromo-5-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 65323575
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
2-[1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750274
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol (CID 66004445) is 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol is COc1ccc(Br)c(CNCC2CC(O)C2)c1.
What is the InChIKey of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is CWLDEDCAMAKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-12-2-3-13(14)10(6-12)8-15-7-9-4-11(16)5-9/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3.
What are the key properties of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).