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

C14H21BrFN — CID 114894764

IUPAC1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN/c1-4-10(5-2)8-14(17-3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyKBTHVQUQLLTREO-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.68
Rot. Bonds6

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

1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine (PubChem CID 114894764) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
PubChem CID114894764
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN/c1-4-10(5-2)8-14(17-3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyKBTHVQUQLLTREO-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(5-bromo-2-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105280759
1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
CID 114201055
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(3-bromo-4-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922196
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine
CID 105028352
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine (CID 114894764) is 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine is CCC(CC)CC(NC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine?
The InChIKey is KBTHVQUQLLTREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-4-10(5-2)8-14(17-3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine?
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine has a molecular weight of 302.23 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine is sourced from PubChem (CID 114894764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).