1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine

C15H22BrNO — CID 106206004

IUPAC1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COCCC2CCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-17-10-13-5-6-14(15(16)9-13)11-18-8-7-12-3-2-4-12/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3
InChIKeyNVGHYJHHQYFEKK-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.88
Rot. Bonds7

About 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine

1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine (PubChem CID 106206004) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
PubChem CID106206004
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COCCC2CCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-17-10-13-5-6-14(15(16)9-13)11-18-8-7-12-3-2-4-12/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3
InChIKeyNVGHYJHHQYFEKK-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-bromo-4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205920
1-[3-bromo-4-(propoxymethyl)phenyl]-N-methylmethanamine
CID 102772617
1-[3-bromo-4-(2-piperidin-1-ylethoxymethyl)phenyl]-N-methylmethanamine
CID 102773097
2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
CID 106203749
N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine
CID 102773481
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
1-[3-bromo-4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-N-methylmethanamine
CID 102772439
1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
1-[3-bromo-4-[(3,4-dimethylcyclohexyl)oxymethyl]phenyl]-N-methylmethanamine
CID 102773703
N-[[3-bromo-4-(4-methylpentoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 102772501
N-[[3-bromo-4-(propoxymethyl)phenyl]methyl]propan-2-amine
CID 102772620
1-[3-bromo-4-[(3-chlorophenyl)methoxymethyl]phenyl]-N-methylmethanamine
CID 102773716

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine (CID 106206004) is 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine is CNCc1ccc(COCCC2CCC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is NVGHYJHHQYFEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-17-10-13-5-6-14(15(16)9-13)11-18-8-7-12-3-2-4-12/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine?
1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106206004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).