1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine

C15H23BrFNO — CID 116721383

IUPAC1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(c1cc(Br)ccc1F)C(OCC)C(C)C
InChIInChI=1S/C15H23BrFNO/c1-5-18-14(15(10(3)4)19-6-2)12-9-11(16)7-8-13(12)17/h7-10,14-15,18H,5-6H2,1-4H3
InChIKeyRRIHBSFWJLNDQA-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.30
Rot. Bonds7

About 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine

1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine (PubChem CID 116721383) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
PubChem CID116721383
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(c1cc(Br)ccc1F)C(OCC)C(C)C
InChIInChI=1S/C15H23BrFNO/c1-5-18-14(15(10(3)4)19-6-2)12-9-11(16)7-8-13(12)17/h7-10,14-15,18H,5-6H2,1-4H3
InChIKeyRRIHBSFWJLNDQA-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725766
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine
CID 116723613
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 106943041
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
1-(5-bromo-2-fluorophenyl)-2-ethoxypropan-1-amine
CID 79743200
1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43493527
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105167364
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 114894862

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine (CID 116721383) is 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine is CCNC(c1cc(Br)ccc1F)C(OCC)C(C)C.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The InChIKey is RRIHBSFWJLNDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-18-14(15(10(3)4)19-6-2)12-9-11(16)7-8-13(12)17/h7-10,14-15,18H,5-6H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine has a molecular weight of 332.26 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 116721383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).