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

C14H21BrFNO — CID 103028559

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-5-17-13(9-14(2,3)18-4)11-8-10(15)6-7-12(11)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyAPDLMJUWELKMJY-UHFFFAOYSA-N
MW318.23 g/mol
LogP4.05
Rot. Bonds6

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

1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103028559) 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-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103028559
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-5-17-13(9-14(2,3)18-4)11-8-10(15)6-7-12(11)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyAPDLMJUWELKMJY-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-ethyl-4-methoxypentan-1-amine
CID 105167364
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
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-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725766
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 103028559) is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is APDLMJUWELKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-5-17-13(9-14(2,3)18-4)11-8-10(15)6-7-12(11)16/h6-8,13,17H,5,9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 318.23 g/mol, XLogP of 4.05, 6 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-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103028559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).