N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine

C17H19BrFN — CID 115827956

IUPACN-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1F)c1cc(C)ccc1Br
InChIInChI=1S/C17H19BrFN/c1-3-10-20-17(13-6-4-5-7-16(13)19)14-11-12(2)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyKZZLZLIQJITUOE-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.99
Rot. Bonds5

About N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine

N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine (PubChem CID 115827956) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
PubChem CID115827956
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1F)c1cc(C)ccc1Br
InChIInChI=1S/C17H19BrFN/c1-3-10-20-17(13-6-4-5-7-16(13)19)14-11-12(2)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyKZZLZLIQJITUOE-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 63502138
N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 106857172
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-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
N-[(2-bromophenyl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513248
N-[(5-bromo-2-chlorophenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115828061
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81473765
N-[(2-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81109636

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine (CID 115827956) is N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccccc1F)c1cc(C)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is KZZLZLIQJITUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-10-20-17(13-6-4-5-7-16(13)19)14-11-12(2)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115827956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).