2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine

C11H14BrClFN — CID 107887497

IUPAC2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CCBr)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14BrClFN/c1-2-15(6-5-12)8-9-3-4-10(13)11(14)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKeyRXUIASXHKAMGRU-UHFFFAOYSA-N
MW294.59 g/mol
LogP3.70
Rot. Bonds5

About 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine

2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine (PubChem CID 107887497) has the molecular formula C11H14BrClFN and a molecular weight of 294.59 g/mol. Its IUPAC name is 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
PubChem CID107887497
Molecular FormulaC11H14BrClFN
Molecular Weight294.59 g/mol
Exact Mass293.00
IUPAC Name2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CCBr)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14BrClFN/c1-2-15(6-5-12)8-9-3-4-10(13)11(14)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKeyRXUIASXHKAMGRU-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-chloro-3-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 107881986
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
2-[(4-chloro-3-fluorophenyl)methyl-propylamino]-N'-hydroxyethanimidamide
CID 107881670
N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
CID 74889407
2-bromo-N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80679836
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
N'-[(3-bromo-4-fluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996193

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine?
The IUPAC name of 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine (CID 107887497) is 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine?
The canonical SMILES for 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine is CCN(CCBr)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine?
The InChIKey is RXUIASXHKAMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFN/c1-2-15(6-5-12)8-9-3-4-10(13)11(14)7-9/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine?
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine has a molecular weight of 294.59 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 107887497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).