1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine

C13H17BrFN — CID 64514094

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFN/c1-9-4-5-13(16,7-9)8-10-2-3-11(15)6-12(10)14/h2-3,6,9H,4-5,7-8,16H2,1H3
InChIKeyDGKUJPLXLISSIY-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.65
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine

1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 64514094) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID64514094
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFN/c1-9-4-5-13(16,7-9)8-10-2-3-11(15)6-12(10)14/h2-3,6,9H,4-5,7-8,16H2,1H3
InChIKeyDGKUJPLXLISSIY-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407519
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65393451
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210
4-[(2-bromo-4-fluorophenyl)methyl]-2-methyloxan-4-ol
CID 65149577
3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539896

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine (CID 64514094) is 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(N)(Cc2ccc(F)cc2Br)C1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is DGKUJPLXLISSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9-4-5-13(16,7-9)8-10-2-3-11(15)6-12(10)14/h2-3,6,9H,4-5,7-8,16H2,1H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 3.65, 2 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)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64514094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).