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

C17H19BrFNO — CID 83045108

IUPAC1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C17H19BrFNO/c1-10-5-12(6-11(2)17(10)21-4)16(20-3)13-7-14(18)9-15(19)8-13/h5-9,16,20H,1-4H3
InChIKeyWHJFUQJADGGOGT-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.52
Rot. Bonds4

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

1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 83045108) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID83045108
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C17H19BrFNO/c1-10-5-12(6-11(2)17(10)21-4)16(20-3)13-7-14(18)9-15(19)8-13/h5-9,16,20H,1-4H3
InChIKeyWHJFUQJADGGOGT-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402
1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480138
1-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65431988
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 66425432
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83043843
1-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561405
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
1-(4,5-dibromothiophen-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057656
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine (CID 83045108) is 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(F)cc(Br)c1)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is WHJFUQJADGGOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-10-5-12(6-11(2)17(10)21-4)16(20-3)13-7-14(18)9-15(19)8-13/h5-9,16,20H,1-4H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine?
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 83045108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).