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

C17H19BrFN — CID 115852352

IUPACN-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)c1cc(Br)ccc1C
InChIInChI=1S/C17H19BrFN/c1-4-20-17(15-8-7-14(19)9-12(15)3)16-10-13(18)6-5-11(16)2/h5-10,17,20H,4H2,1-3H3
InChIKeyGOMPODNLYZEVCY-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.90
Rot. Bonds4

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

N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 115852352) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID115852352
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)c1cc(Br)ccc1C
InChIInChI=1S/C17H19BrFN/c1-4-20-17(15-8-7-14(19)9-12(15)3)16-10-13(18)6-5-11(16)2/h5-10,17,20H,4H2,1-3H3
InChIKeyGOMPODNLYZEVCY-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-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81269079
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(3-bromo-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852310
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
N-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(2-bromo-4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107992961
N-[(5-bromo-2-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397007

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 115852352) is N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1C)c1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is GOMPODNLYZEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-4-20-17(15-8-7-14(19)9-12(15)3)16-10-13(18)6-5-11(16)2/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-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-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115852352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).