N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine

C17H19BrFN — CID 63462421

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-12(10-14-6-4-3-5-7-14)20-13(2)15-8-9-17(19)16(18)11-15/h3-9,11-13,20H,10H2,1-2H3
InChIKeyBRULOGDHTVHBOF-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds5

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine

N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine (PubChem CID 63462421) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
PubChem CID63462421
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-12(10-14-6-4-3-5-7-14)20-13(2)15-8-9-17(19)16(18)11-15/h3-9,11-13,20H,10H2,1-2H3
InChIKeyBRULOGDHTVHBOF-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 104926128
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43769191
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
2-N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945400
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260929
1-(3-bromo-4-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193601

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine (CID 63462421) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NC(C)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine?
The InChIKey is BRULOGDHTVHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-12(10-14-6-4-3-5-7-14)20-13(2)15-8-9-17(19)16(18)11-15/h3-9,11-13,20H,10H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63462421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).