N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine

C15H14Br2FNO — CID 43221034

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
SMILESCOc1c(Br)cc(Br)cc1CNCc1ccccc1F
InChIInChI=1S/C15H14Br2FNO/c1-20-15-11(6-12(16)7-13(15)17)9-19-8-10-4-2-3-5-14(10)18/h2-7,19H,8-9H2,1H3
InChIKeyMDRSRZRSDZSXME-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.65
Rot. Bonds5

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine (PubChem CID 43221034) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
PubChem CID43221034
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
SMILESCOc1c(Br)cc(Br)cc1CNCc1ccccc1F
InChIInChI=1S/C15H14Br2FNO/c1-20-15-11(6-12(16)7-13(15)17)9-19-8-10-4-2-3-5-14(10)18/h2-7,19H,8-9H2,1H3
InChIKeyMDRSRZRSDZSXME-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43612705
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60658981
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902255
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
1-(4-bromothiophen-2-yl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 47271899
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764382
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43775873

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine (CID 43221034) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine is COc1c(Br)cc(Br)cc1CNCc1ccccc1F.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine?
The InChIKey is MDRSRZRSDZSXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-20-15-11(6-12(16)7-13(15)17)9-19-8-10-4-2-3-5-14(10)18/h2-7,19H,8-9H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine has a molecular weight of 403.09 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine is sourced from PubChem (CID 43221034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).