1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine

C14H21BrFNO — CID 105167364

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-4-17-14(8-5-10(2)18-3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyHJMWTMCTPXSEPM-UHFFFAOYSA-N
MW318.23 g/mol
LogP4.05
Rot. Bonds7

About 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine

1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine (PubChem CID 105167364) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
PubChem CID105167364
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-4-17-14(8-5-10(2)18-3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyHJMWTMCTPXSEPM-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028559
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 114894917
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 114894898
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine (CID 105167364) is 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine is CCNC(CCC(C)OC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine?
The InChIKey is HJMWTMCTPXSEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-4-17-14(8-5-10(2)18-3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine?
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine has a molecular weight of 318.23 g/mol, XLogP of 4.05, 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)-N-ethyl-4-methoxypentan-1-amine is sourced from PubChem (CID 105167364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).