[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol

C15H22BrNO2 — CID 116912673

IUPAC[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCOc1ccc(Br)cc1C(N(C)C)C1(CO)CCC1
InChIInChI=1S/C15H22BrNO2/c1-17(2)14(15(10-18)7-4-8-15)12-9-11(16)5-6-13(12)19-3/h5-6,9,14,18H,4,7-8,10H2,1-3H3
InChIKeyUHDXZSSWUACDIN-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.22
Rot. Bonds5

About [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol

[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol (PubChem CID 116912673) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
PubChem CID116912673
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCOc1ccc(Br)cc1C(N(C)C)C1(CO)CCC1
InChIInChI=1S/C15H22BrNO2/c1-17(2)14(15(10-18)7-4-8-15)12-9-11(16)5-6-13(12)19-3/h5-6,9,14,18H,4,7-8,10H2,1-3H3
InChIKeyUHDXZSSWUACDIN-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912688
[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
CID 116912133
[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912694
[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79135689
[1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116912682
(5-bromo-2-methoxyphenyl)-(dimethylamino)methanethiol
CID 116909388
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173
2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860316
1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol (CID 116912673) is [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol is COc1ccc(Br)cc1C(N(C)C)C1(CO)CCC1.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The InChIKey is UHDXZSSWUACDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17(2)14(15(10-18)7-4-8-15)12-9-11(16)5-6-13(12)19-3/h5-6,9,14,18H,4,7-8,10H2,1-3H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol has a molecular weight of 328.25 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116912673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).