N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine

C17H19BrFN — CID 114986430

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN/c1-3-17(14-5-4-6-16(19)11-14)20-12(2)13-7-9-15(18)10-8-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1
InChIKeyIJQYMRDHISHYGK-MTATWXBHSA-N
MW336.25 g/mol
LogP5.39
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine

N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114986430) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114986430
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN/c1-3-17(14-5-4-6-16(19)11-14)20-12(2)13-7-9-15(18)10-8-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1
InChIKeyIJQYMRDHISHYGK-MTATWXBHSA-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

1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
CID 43692345
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine (CID 114986430) is N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine is CCC(N[C@H](C)c1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is IJQYMRDHISHYGK-MTATWXBHSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-17(14-5-4-6-16(19)11-14)20-12(2)13-7-9-15(18)10-8-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-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-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114986430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).