1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

C15H23BrFNO — CID 105172034

IUPAC1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1cccc(F)c1Br
InChIInChI=1S/C15H23BrFNO/c1-5-18-12(10-19-15(2,3)4)9-11-7-6-8-13(17)14(11)16/h6-8,12,18H,5,9-10H2,1-4H3
InChIKeyCUXFSORRMFYNBE-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.92
Rot. Bonds6

About 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (PubChem CID 105172034) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
PubChem CID105172034
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1cccc(F)c1Br
InChIInChI=1S/C15H23BrFNO/c1-5-18-12(10-19-15(2,3)4)9-11-7-6-8-13(17)14(11)16/h6-8,12,18H,5,9-10H2,1-4H3
InChIKeyCUXFSORRMFYNBE-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178828
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
N-ethyl-1-[(2-methylpropan-2-yl)oxy]-3-naphthalen-1-ylpropan-2-amine
CID 105130911
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 105020510
1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760116
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (CID 105172034) is 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is CCNC(COC(C)(C)C)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The InChIKey is CUXFSORRMFYNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-18-12(10-19-15(2,3)4)9-11-7-6-8-13(17)14(11)16/h6-8,12,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is sourced from PubChem (CID 105172034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).