N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

C17H19BrFN — CID 107130305

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

About N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 107130305) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
PubChem CID107130305
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Br)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H19BrFN/c1-4-20-17(13-6-5-12(3)16(19)10-13)14-7-11(2)8-15(18)9-14/h5-10,17,20H,4H2,1-3H3
InChIKeyXLJIBTQLXHAMPY-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-[(4-bromo-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016605
N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-[(3-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 104851377
N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 104851214
N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107128744
N-[(3-bromo-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852310
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (CID 107130305) is N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(Br)c1)c1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is XLJIBTQLXHAMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-4-20-17(13-6-5-12(3)16(19)10-13)14-7-11(2)8-15(18)9-14/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-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-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107130305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).