1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine

C11H12BrClFN — CID 166670971

IUPAC1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2c(F)cc(Br)cc2Cl)CC1
InChIInChI=1S/C11H12BrClFN/c12-7-5-9(13)8(10(14)6-7)1-2-11(15)3-4-11/h5-6H,1-4,15H2
InChIKeyDFKANDPPQZFDBU-UHFFFAOYSA-N
MW292.58 g/mol
LogP3.67
Rot. Bonds3

About 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine

1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine (PubChem CID 166670971) has the molecular formula C11H12BrClFN and a molecular weight of 292.58 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine
PubChem CID166670971
Molecular FormulaC11H12BrClFN
Molecular Weight292.58 g/mol
Exact Mass290.98
IUPAC Name1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2c(F)cc(Br)cc2Cl)CC1
InChIInChI=1S/C11H12BrClFN/c12-7-5-9(13)8(10(14)6-7)1-2-11(15)3-4-11/h5-6H,1-4,15H2
InChIKeyDFKANDPPQZFDBU-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168280482
cis-(1R,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168292181
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
C9H9BrClF2N
CID 91926577
1-[(2-Bromo-4-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446804
2-(4-Bromo-2-chlorophenyl)-2-fluoroethan-1-amine
CID 118111908
(1R)-1-(4-bromo-2-chloro-3-fluorophenyl)ethanamine
CID 153295545
5-Bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene
CID 171633795
1-(4-Bromo-2-chlorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61077445
1-(4-Bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61078703
1-(4-Bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine
CID 61079431
1-(4-Bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 61495745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine (CID 166670971) is 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine is NC1(CCc2c(F)cc(Br)cc2Cl)CC1.
What is the InChIKey of 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine?
The InChIKey is DFKANDPPQZFDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN/c12-7-5-9(13)8(10(14)6-7)1-2-11(15)3-4-11/h5-6H,1-4,15H2.
What are the key properties of 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine?
1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine has a molecular weight of 292.58 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 166670971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).