N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine

C10H12BrF2NO — CID 115262117

IUPACN-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1cc(F)c(CN(C)CBr)cc1F
InChIInChI=1S/C10H12BrF2NO/c1-14(6-11)5-7-3-9(13)10(15-2)4-8(7)12/h3-4H,5-6H2,1-2H3
InChIKeyJJHVKIUOUXKODD-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.76
Rot. Bonds4

About N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine

N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 115262117) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID115262117
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC NameN-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1cc(F)c(CN(C)CBr)cc1F
InChIInChI=1S/C10H12BrF2NO/c1-14(6-11)5-7-3-9(13)10(15-2)4-8(7)12/h3-4H,5-6H2,1-2H3
InChIKeyJJHVKIUOUXKODD-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(2,5-difluoro-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228148
(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
CID 117043406
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
CID 115175825
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
N-(bromomethyl)-1-(2-chloro-5-fluoro-4-methylphenyl)-N-methylmethanamine
CID 115262157
2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260283
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine (CID 115262117) is N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine is COc1cc(F)c(CN(C)CBr)cc1F.
What is the InChIKey of N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is JJHVKIUOUXKODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-14(6-11)5-7-3-9(13)10(15-2)4-8(7)12/h3-4H,5-6H2,1-2H3.
What are the key properties of N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine?
N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 280.11 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115262117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).