[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol

C14H20BrNO2 — CID 116959023

IUPAC[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1ccc(OC)c(Br)c1)C1(CO)CCC1
InChIInChI=1S/C14H20BrNO2/c1-16-13(14(9-17)6-3-7-14)10-4-5-12(18-2)11(15)8-10/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3
InChIKeyGPANKCYYGQCTGQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.88
Rot. Bonds5

About [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol

[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol (PubChem CID 116959023) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
PubChem CID116959023
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1ccc(OC)c(Br)c1)C1(CO)CCC1
InChIInChI=1S/C14H20BrNO2/c1-16-13(14(9-17)6-3-7-14)10-4-5-12(18-2)11(15)8-10/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3
InChIKeyGPANKCYYGQCTGQ-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol with MolForge

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958147
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959052
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958336
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294
2-(3-bromo-4-methoxyphenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68854196
2-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]butan-1-ol
CID 116959867
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
1-(3-bromo-4-propoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827181

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol (CID 116959023) is [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol is CNC(c1ccc(OC)c(Br)c1)C1(CO)CCC1.
What is the InChIKey of [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The InChIKey is GPANKCYYGQCTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16-13(14(9-17)6-3-7-14)10-4-5-12(18-2)11(15)8-10/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3.
What are the key properties of [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol has a molecular weight of 314.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116959023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).