1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine

C11H13BrFN — CID 107281655

IUPAC1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFN/c1-2-7-6-11(7,14)9-4-3-8(13)5-10(9)12/h3-5,7H,2,6,14H2,1H3
InChIKeyJETPMOCFQYNDEM-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.17
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine

1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine (PubChem CID 107281655) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine
PubChem CID107281655
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFN/c1-2-7-6-11(7,14)9-4-3-8(13)5-10(9)12/h3-5,7H,2,6,14H2,1H3
InChIKeyJETPMOCFQYNDEM-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine
CID 107915510
2-ethyl-1-(5-fluoro-2-pyridinyl)cyclopropan-1-amine
CID 79718780
2-(1-amino-2-ethylcyclopropyl)phenol
CID 84656088
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
CID 135292727
1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine
CID 106819818
1-(2-chloro-4-fluorophenyl)-2-ethylcyclopropan-1-ol
CID 79333044
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005620
1-[1-amino-2-(2-bromo-4-fluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79062191
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407519
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine (CID 107281655) is 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine is CCC1CC1(N)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine?
The InChIKey is JETPMOCFQYNDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-2-7-6-11(7,14)9-4-3-8(13)5-10(9)12/h3-5,7H,2,6,14H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine?
1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.17, 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)-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 107281655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).