N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine

C17H19BrFN — CID 61015592

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2cc(F)ccc2Br)c1
InChIInChI=1S/C17H19BrFN/c1-11-4-5-12(2)16(8-11)13(3)20-10-14-9-15(19)6-7-17(14)18/h4-9,13,20H,10H2,1-3H3
InChIKeySXUWAERRWKRZEF-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.06
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 61015592) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
PubChem CID61015592
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2cc(F)ccc2Br)c1
InChIInChI=1S/C17H19BrFN/c1-11-4-5-12(2)16(8-11)13(3)20-10-14-9-15(19)6-7-17(14)18/h4-9,13,20H,10H2,1-3H3
InChIKeySXUWAERRWKRZEF-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 66160523
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 61016209
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (CID 61015592) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(C)NCc2cc(F)ccc2Br)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is SXUWAERRWKRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-4-5-12(2)16(8-11)13(3)20-10-14-9-15(19)6-7-17(14)18/h4-9,13,20H,10H2,1-3H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 336.25 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 61015592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).