N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine

C12H15Br2N — CID 62398713

IUPACN-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2N/c1-7-5-12(7)15-8(2)10-4-3-9(13)6-11(10)14/h3-4,6-8,12,15H,5H2,1-2H3
InChIKeyRAUUNBDWRAWFGK-UHFFFAOYSA-N
MW333.07 g/mol
LogP4.27
Rot. Bonds3

About N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine

N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine (PubChem CID 62398713) has the molecular formula C12H15Br2N and a molecular weight of 333.07 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine
PubChem CID62398713
Molecular FormulaC12H15Br2N
Molecular Weight333.07 g/mol
Exact Mass330.96
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2N/c1-7-5-12(7)15-8(2)10-4-3-9(13)6-11(10)14/h3-4,6-8,12,15H,5H2,1-2H3
InChIKeyRAUUNBDWRAWFGK-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601
N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920776
[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
CID 103786074
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862054
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720321
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62396524
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine (CID 62398713) is N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine is CC(NC1CC1C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine?
The InChIKey is RAUUNBDWRAWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N/c1-7-5-12(7)15-8(2)10-4-3-9(13)6-11(10)14/h3-4,6-8,12,15H,5H2,1-2H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine?
N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine has a molecular weight of 333.07 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62398713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).