1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C16H17BrFN — CID 115796591

IUPAC1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H17BrFN/c1-10-6-11(2)8-13(7-10)16(19-3)12-4-5-14(17)15(18)9-12/h4-9,16,19H,1-3H3
InChIKeyQTDOSBNDHFWXFC-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.51
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 115796591) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID115796591
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H17BrFN/c1-10-6-11(2)8-13(7-10)16(19-3)12-4-5-14(17)15(18)9-12/h4-9,16,19H,1-3H3
InChIKeyQTDOSBNDHFWXFC-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797356
N-[(4-bromo-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016605
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130082
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
CID 105044859
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797203
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 106764470

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 115796591) is 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is QTDOSBNDHFWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-6-11(2)8-13(7-10)16(19-3)12-4-5-14(17)15(18)9-12/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115796591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).