1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine

C13H18BrN — CID 115049914

IUPAC1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine
SMILESCC(N(C)C)C1(c2ccccc2Br)CC1
InChIInChI=1S/C13H18BrN/c1-10(15(2)3)13(8-9-13)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyOALZFDJSHABSBY-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.43
Rot. Bonds3

About 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine

1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine (PubChem CID 115049914) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine
PubChem CID115049914
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine
SMILESCC(N(C)C)C1(c2ccccc2Br)CC1
InChIInChI=1S/C13H18BrN/c1-10(15(2)3)13(8-9-13)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyOALZFDJSHABSBY-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
CID 115049925
methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate
CID 151076035
1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine
CID 115921982
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-bromo-2-(1-methylcyclohexyl)benzene
CID 131090981
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689
N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 63512430
1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 84738643
1-bromo-2-(1-methylsulfonylcyclopropyl)benzene
CID 115050949
1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine
CID 13083152
1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
CID 84729594
N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride
CID 53318503

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine (CID 115049914) is 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine is CC(N(C)C)C1(c2ccccc2Br)CC1.
What is the InChIKey of 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine?
The InChIKey is OALZFDJSHABSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(15(2)3)13(8-9-13)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine?
1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine is sourced from PubChem (CID 115049914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).