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

C12H17BrFNO — CID 115704341

IUPACN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNO/c1-8(7-16-3)15-9(2)11-5-4-10(14)6-12(11)13/h4-6,8-9,15H,7H2,1-3H3
InChIKeyKJEUJOMJNGSPDA-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.27
Rot. Bonds5

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

N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 115704341) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID115704341
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNO/c1-8(7-16-3)15-9(2)11-5-4-10(14)6-12(11)13/h4-6,8-9,15H,7H2,1-3H3
InChIKeyKJEUJOMJNGSPDA-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860307
N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
CID 64604230
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 113261992
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
2-N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103778387
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 103775505
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 103775939
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine (CID 115704341) is N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1ccc(F)cc1Br.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is KJEUJOMJNGSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-8(7-16-3)15-9(2)11-5-4-10(14)6-12(11)13/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 290.18 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 115704341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).