1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine

C12H16BrN — CID 83693333

IUPAC1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(CCc2ccccc2Br)CC1
InChIInChI=1S/C12H16BrN/c1-14-12(8-9-12)7-6-10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3
InChIKeyNNHNBSZREDHEDK-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine

1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine (PubChem CID 83693333) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine
PubChem CID83693333
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(CCc2ccccc2Br)CC1
InChIInChI=1S/C12H16BrN/c1-14-12(8-9-12)7-6-10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3
InChIKeyNNHNBSZREDHEDK-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine (CID 83693333) is 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine is CNC1(CCc2ccccc2Br)CC1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine?
The InChIKey is NNHNBSZREDHEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-14-12(8-9-12)7-6-10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3.
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine?
1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 83693333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).