N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine

C9H11BrFN — CID 115261999

IUPACN-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCN(CBr)Cc1ccc(F)cc1
InChIInChI=1S/C9H11BrFN/c1-12(7-10)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyHNTNSIIMYXZLNA-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.61
Rot. Bonds3

About N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine

N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 115261999) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID115261999
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC NameN-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCN(CBr)Cc1ccc(F)cc1
InChIInChI=1S/C9H11BrFN/c1-12(7-10)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyHNTNSIIMYXZLNA-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
2-(bromomethyl)-N-[(4-fluorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 65015939
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
2-bromo-5-[[(4-fluorophenyl)methyl-methylamino]methyl]aniline
CID 115557025
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine
CID 87937928
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 115261999) is N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine is CN(CBr)Cc1ccc(F)cc1.
What is the InChIKey of N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is HNTNSIIMYXZLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-12(7-10)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine?
N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 232.10 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115261999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).