1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine

C12H16BrNO2 — CID 117460990

IUPAC1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Br)ccc1OC1CCC1
InChIInChI=1S/C12H16BrNO2/c1-15-14-8-9-7-10(13)5-6-12(9)16-11-3-2-4-11/h5-7,11,14H,2-4,8H2,1H3
InChIKeyNUJULHNTUSWJMP-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.03
Rot. Bonds5

About 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine

1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine (PubChem CID 117460990) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
PubChem CID117460990
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Br)ccc1OC1CCC1
InChIInChI=1S/C12H16BrNO2/c1-15-14-8-9-7-10(13)5-6-12(9)16-11-3-2-4-11/h5-7,11,14H,2-4,8H2,1H3
InChIKeyNUJULHNTUSWJMP-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406
(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine
CID 83229348
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[[5-bromo-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63937023
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
CID 115005293
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine (CID 117460990) is 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine is CONCc1cc(Br)ccc1OC1CCC1.
What is the InChIKey of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine?
The InChIKey is NUJULHNTUSWJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-14-8-9-7-10(13)5-6-12(9)16-11-3-2-4-11/h5-7,11,14H,2-4,8H2,1H3.
What are the key properties of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine?
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine has a molecular weight of 286.17 g/mol, XLogP of 3.03, 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-cyclobutyloxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117460990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).