N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

C17H19BrFN — CID 106881289

IUPACN-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H19BrFN/c1-4-20-17(13-5-7-14(18)8-6-13)16-12(3)9-11(2)10-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyWBFQXHXQNGFLHU-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.90
Rot. Bonds4

About N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106881289) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
PubChem CID106881289
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H19BrFN/c1-4-20-17(13-5-7-14(18)8-6-13)16-12(3)9-11(2)10-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyWBFQXHXQNGFLHU-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 79212673
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106881613
N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (CID 106881289) is N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is WBFQXHXQNGFLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-4-20-17(13-5-7-14(18)8-6-13)16-12(3)9-11(2)10-15(16)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106881289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).