2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine

C12H16BrNO — CID 81014703

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(Br)cc1CC1CCC1N
InChIInChI=1S/C12H16BrNO/c1-15-12-5-3-10(13)7-9(12)6-8-2-4-11(8)14/h3,5,7-8,11H,2,4,6,14H2,1H3
InChIKeyGTMIMKUEHXETBB-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.74
Rot. Bonds3

About 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine

2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 81014703) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID81014703
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(Br)cc1CC1CCC1N
InChIInChI=1S/C12H16BrNO/c1-15-12-5-3-10(13)7-9(12)6-8-2-4-11(8)14/h3,5,7-8,11H,2,4,6,14H2,1H3
InChIKeyGTMIMKUEHXETBB-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982
2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608
3-bromo-4-[(5-bromo-2-methoxyphenyl)methyl]thiolane
CID 83189971
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
1-(2-aminocycloheptyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116595331
1-[(5-bromo-2-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64509087
8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234951

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine (CID 81014703) is 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine is COc1ccc(Br)cc1CC1CCC1N.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is GTMIMKUEHXETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-12-5-3-10(13)7-9(12)6-8-2-4-11(8)14/h3,5,7-8,11H,2,4,6,14H2,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81014703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).