3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine

C12H14BrF2N — CID 112567109

IUPAC3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrF2N/c13-10-3-8(4-11(14)5-10)6-12(15,7-16)9-1-2-9/h3-5,9H,1-2,6-7,16H2
InChIKeyHIAHTRUYRXCFRE-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.21
Rot. Bonds4

About 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine

3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (PubChem CID 112567109) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
PubChem CID112567109
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrF2N/c13-10-3-8(4-11(14)5-10)6-12(15,7-16)9-1-2-9/h3-5,9H,1-2,6-7,16H2
InChIKeyHIAHTRUYRXCFRE-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150924
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 79708939
3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83159708
3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
[2-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011817
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
1-bromo-3-fluoro-5-(2-fluoro-2-methylpropyl)benzene;propane-1,3-diol
CID 143797670
1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 79711391
1-bromo-3-fluoro-5-(fluoromethyl)benzene
CID 118045958

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (CID 112567109) is 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is NCC(F)(Cc1cc(F)cc(Br)c1)C1CC1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The InChIKey is HIAHTRUYRXCFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-10-3-8(4-11(14)5-10)6-12(15,7-16)9-1-2-9/h3-5,9H,1-2,6-7,16H2.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine has a molecular weight of 290.15 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is sourced from PubChem (CID 112567109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).