1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine

C15H23BrFNO — CID 64535624

IUPAC1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)C(C)OCC
InChIInChI=1S/C15H23BrFNO/c1-4-8-18-15(11(3)19-5-2)9-12-6-7-13(16)10-14(12)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyAOFFIDQHEOQSJU-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.92
Rot. Bonds8

About 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine

1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine (PubChem CID 64535624) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
PubChem CID64535624
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)C(C)OCC
InChIInChI=1S/C15H23BrFNO/c1-4-8-18-15(11(3)19-5-2)9-12-6-7-13(16)10-14(12)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyAOFFIDQHEOQSJU-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115
1-(4-bromo-2-fluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 62603016
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535226
4-bromo-2-fluoro-1-(pentan-2-yloxymethyl)benzene
CID 102983194

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine (CID 64535624) is 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine is CCCNC(Cc1ccc(Br)cc1F)C(C)OCC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine?
The InChIKey is AOFFIDQHEOQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-4-8-18-15(11(3)19-5-2)9-12-6-7-13(16)10-14(12)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine?
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 64535624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).