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

C16H15BrF3N — CID 114887409

IUPACN-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)c1c(F)cccc1Br
InChIInChI=1S/C16H15BrF3N/c1-2-9-21-16(14-10(17)5-3-6-11(14)18)15-12(19)7-4-8-13(15)20/h3-8,16,21H,2,9H2,1H3
InChIKeyPLLUDDKVZWUYAR-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.96
Rot. Bonds5

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

N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine (PubChem CID 114887409) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
PubChem CID114887409
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)c1c(F)cccc1Br
InChIInChI=1S/C16H15BrF3N/c1-2-9-21-16(14-10(17)5-3-6-11(14)18)15-12(19)7-4-8-13(15)20/h3-8,16,21H,2,9H2,1H3
InChIKeyPLLUDDKVZWUYAR-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
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-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 114558957
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114558955
N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967
N-[(2-bromo-6-fluorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395585
N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 114887388
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
N-[(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114887427
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine (CID 114887409) is N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine is CCCNC(c1c(F)cccc1F)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The InChIKey is PLLUDDKVZWUYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-2-9-21-16(14-10(17)5-3-6-11(14)18)15-12(19)7-4-8-13(15)20/h3-8,16,21H,2,9H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine has a molecular weight of 358.20 g/mol, XLogP of 4.96, 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)-(2,6-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 114887409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).