1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine

C13H17BrFN — CID 106644684

IUPAC1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(c2cccc(Br)c2F)C1
InChIInChI=1S/C13H17BrFN/c1-2-9-6-7-13(16,8-9)10-4-3-5-11(14)12(10)15/h3-5,9H,2,6-8,16H2,1H3
InChIKeyRUMCWIVNSPHEBY-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.95
Rot. Bonds2

About 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine

1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine (PubChem CID 106644684) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine
PubChem CID106644684
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(c2cccc(Br)c2F)C1
InChIInChI=1S/C13H17BrFN/c1-2-9-6-7-13(16,8-9)10-4-3-5-11(14)12(10)15/h3-5,9H,2,6-8,16H2,1H3
InChIKeyRUMCWIVNSPHEBY-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
3-ethyl-1-(2-propoxyphenyl)cyclopentan-1-amine
CID 104659063
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine
CID 106941547
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
3-ethyl-1-quinolin-8-ylcyclohexan-1-amine
CID 81216378
1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 106644704
1-(4-bromo-3-chloro-2-fluorophenyl)-4-propylcycloheptan-1-amine
CID 106761658
1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
CID 106644257
3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 64516010
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
CID 62802100

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine (CID 106644684) is 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine is CCC1CCC(N)(c2cccc(Br)c2F)C1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine?
The InChIKey is RUMCWIVNSPHEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-2-9-6-7-13(16,8-9)10-4-3-5-11(14)12(10)15/h3-5,9H,2,6-8,16H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine?
1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 106644684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).