2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine

C12H14BrF2N — CID 106267698

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H14BrF2N/c1-6-4-7(6)11(16)5-8-10(14)3-2-9(13)12(8)15/h2-3,6-7,11H,4-5,16H2,1H3
InChIKeyKIVYARHUPDPEJA-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine (PubChem CID 106267698) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
PubChem CID106267698
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H14BrF2N/c1-6-4-7(6)11(16)5-8-10(14)3-2-9(13)12(8)15/h2-3,6-7,11H,4-5,16H2,1H3
InChIKeyKIVYARHUPDPEJA-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-(3-bromo-2,6-difluorophenyl)ethanamine
CID 106273642
2-(3-bromo-2,6-difluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 106267560
2-(3-bromo-2,6-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 114167013
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 106263727
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 106942650
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 106271487
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
CID 106266739

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine (CID 106267698) is 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine is CC1CC1C(N)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is KIVYARHUPDPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c1-6-4-7(6)11(16)5-8-10(14)3-2-9(13)12(8)15/h2-3,6-7,11H,4-5,16H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 290.15 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 106267698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).