N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine

C17H19BrFN — CID 106647623

IUPACN-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1cccc(Br)c1F
InChIInChI=1S/C17H19BrFN/c1-4-20-17(13-9-8-11(2)10-12(13)3)14-6-5-7-15(18)16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyFWKWJSLLPSLCHD-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.90
Rot. Bonds4

About N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine

N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 106647623) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID106647623
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1cccc(Br)c1F
InChIInChI=1S/C17H19BrFN/c1-4-20-17(13-9-8-11(2)10-12(13)3)14-6-5-7-15(18)16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyFWKWJSLLPSLCHD-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-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960
N-[(4-bromo-2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81482342
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 106764876
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (CID 106647623) is N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1C)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is FWKWJSLLPSLCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-4-20-17(13-9-8-11(2)10-12(13)3)14-6-5-7-15(18)16(14)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-(2,4-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-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106647623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).