2-(3-bromophenyl)-2-(methylamino)ethanol

C9H12BrNO — CID 61056326

IUPAC2-(3-bromophenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-11-9(6-12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3
InChIKeyIKMBDPPXZXBHLG-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.70
Rot. Bonds3

About 2-(3-bromophenyl)-2-(methylamino)ethanol

2-(3-bromophenyl)-2-(methylamino)ethanol (PubChem CID 61056326) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(methylamino)ethanol
PubChem CID61056326
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-(3-bromophenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-11-9(6-12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3
InChIKeyIKMBDPPXZXBHLG-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(methylamino)ethanol?
The IUPAC name of 2-(3-bromophenyl)-2-(methylamino)ethanol (CID 61056326) is 2-(3-bromophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-2-(methylamino)ethanol is CNC(CO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(methylamino)ethanol?
The InChIKey is IKMBDPPXZXBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-9(6-12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-(methylamino)ethanol?
2-(3-bromophenyl)-2-(methylamino)ethanol has a molecular weight of 230.10 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 61056326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).