1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine

C12H15BrFN — CID 84809656

IUPAC1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine
SMILESCC(C)(F)c1ccc(C2(N)CC2)cc1Br
InChIInChI=1S/C12H15BrFN/c1-11(2,14)9-4-3-8(7-10(9)13)12(15)5-6-12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyCOWAKZFNRJIGAN-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.60
Rot. Bonds2

About 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine

1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine (PubChem CID 84809656) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine
PubChem CID84809656
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine
SMILESCC(C)(F)c1ccc(C2(N)CC2)cc1Br
InChIInChI=1S/C12H15BrFN/c1-11(2,14)9-4-3-8(7-10(9)13)12(15)5-6-12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyCOWAKZFNRJIGAN-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
CID 84815573
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 170897906
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine
CID 84801514
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine
CID 58902125
1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine
CID 84792733
[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol
CID 84706048
4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline
CID 117478718
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
CID 107288007
1-(3-bromo-2-methylindazol-6-yl)cyclopropan-1-amine
CID 84729766
5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol
CID 84803020

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine (CID 84809656) is 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine is CC(C)(F)c1ccc(C2(N)CC2)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine?
The InChIKey is COWAKZFNRJIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-11(2,14)9-4-3-8(7-10(9)13)12(15)5-6-12/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine?
1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84809656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).