1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine

C16H16Br2FNO — CID 65433731

IUPAC1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H16Br2FNO/c1-9-6-15(21-3)12(8-13(9)17)16(20-2)11-5-4-10(19)7-14(11)18/h4-8,16,20H,1-3H3
InChIKeySHZIJPCPSJNATF-UHFFFAOYSA-N
MW417.12 g/mol
LogP4.98
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine

1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine (PubChem CID 65433731) has the molecular formula C16H16Br2FNO and a molecular weight of 417.12 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
PubChem CID65433731
Molecular FormulaC16H16Br2FNO
Molecular Weight417.12 g/mol
Exact Mass414.96
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H16Br2FNO/c1-9-6-15(21-3)12(8-13(9)17)16(20-2)11-5-4-10(19)7-14(11)18/h4-8,16,20H,1-3H3
InChIKeySHZIJPCPSJNATF-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 65433732
1-(2-bromo-4-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 105052115
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433342
1-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65431988
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(5-chloro-2-methylphenyl)-N-methylmethanamine
CID 82871128
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106851843
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
1-(2-bromo-4-fluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877923
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine (CID 65433731) is 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1Br)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The InChIKey is SHZIJPCPSJNATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNO/c1-9-6-15(21-3)12(8-13(9)17)16(20-2)11-5-4-10(19)7-14(11)18/h4-8,16,20H,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine has a molecular weight of 417.12 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 65433731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).