N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine

C17H19BrFN — CID 43680068

IUPACN-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-17(13-8-10-14(19)11-9-13)20-12(2)15-6-4-5-7-16(15)18/h4-12,17,20H,3H2,1-2H3
InChIKeyBTZCKYDVEOAOET-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.39
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine

N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine (PubChem CID 43680068) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
PubChem CID43680068
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-17(13-8-10-14(19)11-9-13)20-12(2)15-6-4-5-7-16(15)18/h4-12,17,20H,3H2,1-2H3
InChIKeyBTZCKYDVEOAOET-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 81383700
N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62632696
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine (CID 43680068) is N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine is CCC(NC(C)c1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is BTZCKYDVEOAOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-17(13-8-10-14(19)11-9-13)20-12(2)15-6-4-5-7-16(15)18/h4-12,17,20H,3H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine?
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 43680068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).