4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine

C14H21BrFN — CID 79739119

IUPAC4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN/c1-5-17-10(2)9-14(3,4)12-8-11(15)6-7-13(12)16/h6-8,10,17H,5,9H2,1-4H3
InChIKeyQRJIJCJTWHPQBW-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.25
Rot. Bonds5

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

4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 79739119) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
PubChem CID79739119
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN/c1-5-17-10(2)9-14(3,4)12-8-11(15)6-7-13(12)16/h6-8,10,17H,5,9H2,1-4H3
InChIKeyQRJIJCJTWHPQBW-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
1-(5-bromo-2-fluorophenyl)-4-(ethylamino)pentan-2-one
CID 116566873
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203524
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028559
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223587
4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine
CID 107290258
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine (CID 79739119) is 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine is CCNC(C)CC(C)(C)c1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is QRJIJCJTWHPQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-5-17-10(2)9-14(3,4)12-8-11(15)6-7-13(12)16/h6-8,10,17H,5,9H2,1-4H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 302.23 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 79739119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).