N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine

C12H14BrF2N — CID 106268507

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1c(F)ccc(Br)c1F)C1CC1
InChIInChI=1S/C12H14BrF2N/c1-2-16(8-3-4-8)7-9-11(14)6-5-10(13)12(9)15/h5-6,8H,2-4,7H2,1H3
InChIKeyKGYZDARFQTZQQG-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.71
Rot. Bonds4

About N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine (PubChem CID 106268507) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine
PubChem CID106268507
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1c(F)ccc(Br)c1F)C1CC1
InChIInChI=1S/C12H14BrF2N/c1-2-16(8-3-4-8)7-9-11(14)6-5-10(13)12(9)15/h5-6,8H,2-4,7H2,1H3
InChIKeyKGYZDARFQTZQQG-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 114165846
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(2-chloroethyl)cyclobutanamine
CID 106272497
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 120835456
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 106268675
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]acetonitrile
CID 106264001
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106264936
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854
N'-[(3-bromo-2,6-difluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 106269278
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylbutan-1-amine
CID 106268403
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methoxyethanamine
CID 106268683
N'-[(3-bromo-2,6-difluorophenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 114165785

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine (CID 106268507) is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine is CCN(Cc1c(F)ccc(Br)c1F)C1CC1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine?
The InChIKey is KGYZDARFQTZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c1-2-16(8-3-4-8)7-9-11(14)6-5-10(13)12(9)15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine has a molecular weight of 290.15 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine is sourced from PubChem (CID 106268507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).