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

C14H19BrFN — CID 114894898

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFN/c1-4-10(3)8-14(17-5-2)12-9-11(15)6-7-13(12)16/h6-7,9,14,17H,3-5,8H2,1-2H3
InChIKeyLCNKWSOGIJHHMX-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.60
Rot. Bonds6

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

1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine (PubChem CID 114894898) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
PubChem CID114894898
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFN/c1-4-10(3)8-14(17-5-2)12-9-11(15)6-7-13(12)16/h6-7,9,14,17H,3-5,8H2,1-2H3
InChIKeyLCNKWSOGIJHHMX-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
[1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine
CID 105281036
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028559
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105167364
1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 114894862
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylidene-N-propylpentan-1-amine
CID 66037329
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine (CID 114894898) is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine is C=C(CC)CC(NCC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
The InChIKey is LCNKWSOGIJHHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-4-10(3)8-14(17-5-2)12-9-11(15)6-7-13(12)16/h6-7,9,14,17H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine has a molecular weight of 300.22 g/mol, XLogP of 4.60, 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)-N-ethyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 114894898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).