2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine

C11H14Br2FN — CID 80666711

IUPAC2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
SMILESCC(Br)CN(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C11H14Br2FN/c1-8(12)6-15(2)7-9-3-10(13)5-11(14)4-9/h3-5,8H,6-7H2,1-2H3
InChIKeyBJFKWAZTGHGNKI-UHFFFAOYSA-N
MW339.05 g/mol
LogP3.80
Rot. Bonds4

About 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine

2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 80666711) has the molecular formula C11H14Br2FN and a molecular weight of 339.05 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID80666711
Molecular FormulaC11H14Br2FN
Molecular Weight339.05 g/mol
Exact Mass336.95
IUPAC Name2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
SMILESCC(Br)CN(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C11H14Br2FN/c1-8(12)6-15(2)7-9-3-10(13)5-11(14)4-9/h3-5,8H,6-7H2,1-2H3
InChIKeyBJFKWAZTGHGNKI-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 53.80
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-[(3-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 79701588
N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79706916
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
CID 79706560
2-N-[(3-bromo-5-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924830
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
N'-[(3-bromo-5-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79702116
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 79701722
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
3-[(3,5-dibromophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122046994
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
N-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-N-propan-2-ylpropan-1-amine
CID 79708461

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine (CID 80666711) is 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine is CC(Br)CN(C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is BJFKWAZTGHGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2FN/c1-8(12)6-15(2)7-9-3-10(13)5-11(14)4-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine?
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 339.05 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 80666711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).