2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol

C11H14BrNO — CID 82380657

IUPAC2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol
SMILESNC1(CC(O)c2ccccc2Br)CC1
InChIInChI=1S/C11H14BrNO/c12-9-4-2-1-3-8(9)10(14)7-11(13)5-6-11/h1-4,10,14H,5-7,13H2
InChIKeyMTQLDZISJLPSBA-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.36
Rot. Bonds3

About 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol

2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol (PubChem CID 82380657) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol
PubChem CID82380657
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol
SMILESNC1(CC(O)c2ccccc2Br)CC1
InChIInChI=1S/C11H14BrNO/c12-9-4-2-1-3-8(9)10(14)7-11(13)5-6-11/h1-4,10,14H,5-7,13H2
InChIKeyMTQLDZISJLPSBA-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol?
The IUPAC name of 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol (CID 82380657) is 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol?
The canonical SMILES for 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol is NC1(CC(O)c2ccccc2Br)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol?
The InChIKey is MTQLDZISJLPSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-9-4-2-1-3-8(9)10(14)7-11(13)5-6-11/h1-4,10,14H,5-7,13H2.
What are the key properties of 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol?
2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol has a molecular weight of 256.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol is sourced from PubChem (CID 82380657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).