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

C15H23BrFN — CID 105020510

IUPAC1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)C(C)(C)CC
InChIInChI=1S/C15H23BrFN/c1-5-15(3,4)13(18-6-2)10-11-8-7-9-12(17)14(11)16/h7-9,13,18H,5-6,10H2,1-4H3
InChIKeyQAEDWRHTIOSMQC-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds6

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

1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine (PubChem CID 105020510) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
PubChem CID105020510
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)C(C)(C)CC
InChIInChI=1S/C15H23BrFN/c1-5-15(3,4)13(18-6-2)10-11-8-7-9-12(17)14(11)16/h7-9,13,18H,5-6,10H2,1-4H3
InChIKeyQAEDWRHTIOSMQC-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760116
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063285
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
N-[(2-bromo-3-fluorophenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104828121
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine (CID 105020510) is 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine is CCNC(Cc1cccc(F)c1Br)C(C)(C)CC.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
The InChIKey is QAEDWRHTIOSMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-5-15(3,4)13(18-6-2)10-11-8-7-9-12(17)14(11)16/h7-9,13,18H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine is sourced from PubChem (CID 105020510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).