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

C14H11Br2F2N — CID 79710689

IUPAC1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine
SMILESFc1cc(Br)cc(CNCc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11Br2F2N/c15-11-3-9(4-13(18)6-11)7-19-8-10-5-12(17)1-2-14(10)16/h1-6,19H,7-8H2
InChIKeyRJZQFNYWNMJJEG-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.78
Rot. Bonds4

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

1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine (PubChem CID 79710689) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine
PubChem CID79710689
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine
SMILESFc1cc(Br)cc(CNCc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11Br2F2N/c15-11-3-9(4-13(18)6-11)7-19-8-10-5-12(17)1-2-14(10)16/h1-6,19H,7-8H2
InChIKeyRJZQFNYWNMJJEG-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
CID 113454135
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]benzene-1,2-diol
CID 54893715
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 107230838
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66398559
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 61068734
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 112731993
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114505284

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine (CID 79710689) is 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine is Fc1cc(Br)cc(CNCc2cc(F)ccc2Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine?
The InChIKey is RJZQFNYWNMJJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c15-11-3-9(4-13(18)6-11)7-19-8-10-5-12(17)1-2-14(10)16/h1-6,19H,7-8H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine?
1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine has a molecular weight of 391.05 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 79710689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).