1-(4-bromophenyl)-N-ethylcyclopropan-1-amine

C11H14BrN — CID 126991156

IUPAC1-(4-bromophenyl)-N-ethylcyclopropan-1-amine
SMILESCCNC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H14BrN/c1-2-13-11(7-8-11)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyRBHLJLXIZDHILW-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine

1-(4-bromophenyl)-N-ethylcyclopropan-1-amine (PubChem CID 126991156) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethylcyclopropan-1-amine
PubChem CID126991156
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(4-bromophenyl)-N-ethylcyclopropan-1-amine
SMILESCCNC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H14BrN/c1-2-13-11(7-8-11)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyRBHLJLXIZDHILW-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine (CID 126991156) is 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine is CCNC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine?
The InChIKey is RBHLJLXIZDHILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-13-11(7-8-11)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine?
1-(4-bromophenyl)-N-ethylcyclopropan-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethylcyclopropan-1-amine is sourced from PubChem (CID 126991156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).