1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine

C15H23BrFN — CID 114020071

IUPAC1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cccc(Br)c1F
InChIInChI=1S/C15H23BrFN/c1-5-18-13(9-10-15(2,3)4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyQFMICTZTXBTRJA-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.07
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine

1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (PubChem CID 114020071) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
PubChem CID114020071
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cccc(Br)c1F
InChIInChI=1S/C15H23BrFN/c1-5-18-13(9-10-15(2,3)4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyQFMICTZTXBTRJA-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074
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CID 114209930
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 106646214
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 106648197
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine
CID 106647936
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106645644
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64712462
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (CID 114020071) is 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine is CCNC(CCC(C)(C)C)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The InChIKey is QFMICTZTXBTRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-5-18-13(9-10-15(2,3)4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 114020071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).