N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine

C12H17BrFNO — CID 79574917

IUPACN-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-3-4-15-12(8-16-2)9-5-10(13)7-11(14)6-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyFTPLHOLUKVQTRZ-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.28
Rot. Bonds6

About N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine

N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine (PubChem CID 79574917) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
PubChem CID79574917
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC NameN-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-3-4-15-12(8-16-2)9-5-10(13)7-11(14)6-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyFTPLHOLUKVQTRZ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
N-[1-(3-bromo-5-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 66423667
1-(3-bromo-5-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 113374344
N-[1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 66425252
N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105142084
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
N-[1-(3-bromo-5-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643264
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-[1-(3-bromo-5-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107049735
N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
CID 114019324
1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 79722730

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine (CID 79574917) is N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine is CCCNC(COC)c1cc(F)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine?
The InChIKey is FTPLHOLUKVQTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-4-15-12(8-16-2)9-5-10(13)7-11(14)6-9/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine?
N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine has a molecular weight of 290.18 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 79574917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).