1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine

C16H23BrFN — CID 105015590

IUPAC1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
SMILESCNC(CCC1CCCC1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-19-16(7-6-12-4-2-3-5-12)10-13-8-14(17)11-15(18)9-13/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyOLGYDPUVAZMMTJ-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.69
Rot. Bonds6

About 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine

1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine (PubChem CID 105015590) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
PubChem CID105015590
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
SMILESCNC(CCC1CCCC1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-19-16(7-6-12-4-2-3-5-12)10-13-8-14(17)11-15(18)9-13/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyOLGYDPUVAZMMTJ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755
1-(3-bromo-5-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105169473
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
CID 79709304
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine
CID 105206736
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine (CID 105015590) is 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine is CNC(CCC1CCCC1)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine?
The InChIKey is OLGYDPUVAZMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-19-16(7-6-12-4-2-3-5-12)10-13-8-14(17)11-15(18)9-13/h8-9,11-12,16,19H,2-7,10H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine?
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine has a molecular weight of 328.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine is sourced from PubChem (CID 105015590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).