N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine

C18H27BrFN — CID 115926829

IUPACN-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccc(F)c(Br)c1)C1CCCC1
InChIInChI=1S/C18H27BrFN/c1-18(2,3)21-12-15(14-6-4-5-7-14)10-13-8-9-17(20)16(19)11-13/h8-9,11,14-15,21H,4-7,10,12H2,1-3H3
InChIKeyJLJDXJASDAFLIY-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.33
Rot. Bonds5

About N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine

N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine (PubChem CID 115926829) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
PubChem CID115926829
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC NameN-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccc(F)c(Br)c1)C1CCCC1
InChIInChI=1S/C18H27BrFN/c1-18(2,3)21-12-15(14-6-4-5-7-14)10-13-8-9-17(20)16(19)11-13/h8-9,11,14-15,21H,4-7,10,12H2,1-3H3
InChIKeyJLJDXJASDAFLIY-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 115818368
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine (CID 115926829) is N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine is CC(C)(C)NCC(Cc1ccc(F)c(Br)c1)C1CCCC1.
What is the InChIKey of N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
The InChIKey is JLJDXJASDAFLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-18(2,3)21-12-15(14-6-4-5-7-14)10-13-8-9-17(20)16(19)11-13/h8-9,11,14-15,21H,4-7,10,12H2,1-3H3.
What are the key properties of N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine has a molecular weight of 356.32 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115926829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).