N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

C17H19BrFN — CID 115852716

IUPACN-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1ccc(C)cc1Br
InChIInChI=1S/C17H19BrFN/c1-4-20-17(13-7-5-12(3)10-15(13)18)14-9-11(2)6-8-16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyCXLPHLLJLMRZAH-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.90
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 115852716) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID115852716
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1ccc(C)cc1Br
InChIInChI=1S/C17H19BrFN/c1-4-20-17(13-7-5-12(3)10-15(13)18)14-9-11(2)6-8-16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyCXLPHLLJLMRZAH-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-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62514992
N-[(2-bromo-4-methylphenyl)-(2-chloro-4,5-difluorophenyl)methyl]ethanamine
CID 107476402
N-[(2,4-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107945688
N-[(2-bromo-4-chlorophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107992992
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(2-bromo-4-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79726735
N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796773
N-[(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 107476394
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 102828532
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 115852716) is N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)c1ccc(C)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is CXLPHLLJLMRZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-4-20-17(13-7-5-12(3)10-15(13)18)14-9-11(2)6-8-16(14)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)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-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115852716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).