N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine

C16H16BrF2N — CID 114558952

IUPACN-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1c(F)cccc1Br
InChIInChI=1S/C16H16BrF2N/c1-2-10-20-16(11-6-8-12(18)9-7-11)15-13(17)4-3-5-14(15)19/h3-9,16,20H,2,10H2,1H3
InChIKeyXHZOXTAFLNVOAA-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.82
Rot. Bonds5

About N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine

N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 114558952) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID114558952
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1c(F)cccc1Br
InChIInChI=1S/C16H16BrF2N/c1-2-10-20-16(11-6-8-12(18)9-7-11)15-13(17)4-3-5-14(15)19/h3-9,16,20H,2,10H2,1H3
InChIKeyXHZOXTAFLNVOAA-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114558955
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(2-bromo-6-fluorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395585
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 114887388
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
N-[1-(2-bromo-6-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114559918
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967
N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 114558957

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine (CID 114558952) is N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is XHZOXTAFLNVOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-10-20-16(11-6-8-12(18)9-7-11)15-13(17)4-3-5-14(15)19/h3-9,16,20H,2,10H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 114558952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).