1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine

C14H21BrFN — CID 60996816

IUPAC1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
SMILESCCCC(CCc1ccc(F)cc1Br)NCC
InChIInChI=1S/C14H21BrFN/c1-3-5-13(17-4-2)9-7-11-6-8-12(16)10-14(11)15/h6,8,10,13,17H,3-5,7,9H2,1-2H3
InChIKeySHUCIAFGJAMQSG-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.30
Rot. Bonds7

About 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine

1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine (PubChem CID 60996816) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
PubChem CID60996816
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
SMILESCCCC(CCc1ccc(F)cc1Br)NCC
InChIInChI=1S/C14H21BrFN/c1-3-5-13(17-4-2)9-7-11-6-8-12(16)10-14(11)15/h6,8,10,13,17H,3-5,7,9H2,1-2H3
InChIKeySHUCIAFGJAMQSG-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
N-[(2-bromo-4-fluorophenyl)methyl]octan-4-amine
CID 106023088
4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665424
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
CID 114733396
1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
CID 115843078
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964
2-[(2-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63498524
1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136270

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine (CID 60996816) is 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine is CCCC(CCc1ccc(F)cc1Br)NCC.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine?
The InChIKey is SHUCIAFGJAMQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-3-5-13(17-4-2)9-7-11-6-8-12(16)10-14(11)15/h6,8,10,13,17H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine?
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine has a molecular weight of 302.23 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine is sourced from PubChem (CID 60996816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).