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

C15H23BrFNO — CID 105136270

IUPAC1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-3-8-18-14(7-9-19-4-2)10-12-5-6-13(17)11-15(12)16/h5-6,11,14,18H,3-4,7-10H2,1-2H3
InChIKeyNFPNCGHNZCCPIF-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.93
Rot. Bonds9

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

1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine (PubChem CID 105136270) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
PubChem CID105136270
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-3-8-18-14(7-9-19-4-2)10-12-5-6-13(17)11-15(12)16/h5-6,11,14,18H,3-4,7-10H2,1-2H3
InChIKeyNFPNCGHNZCCPIF-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105136340
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 112688283
1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
CID 115843078
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine (CID 105136270) is 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine is CCCNC(CCOCC)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine?
The InChIKey is NFPNCGHNZCCPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-3-8-18-14(7-9-19-4-2)10-12-5-6-13(17)11-15(12)16/h5-6,11,14,18H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine?
1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 105136270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).