2-[(3-bromophenyl)methylamino]ethanol

C9H12BrNO — CID 2215605

IUPAC2-[(3-bromophenyl)methylamino]ethanol
SMILESOCCNCc1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
InChIKeyPWFAZOJNSCGBPM-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.53
Rot. Bonds4

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

2-[(3-bromophenyl)methylamino]ethanol (PubChem CID 2215605) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylamino]ethanol
PubChem CID2215605
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-[(3-bromophenyl)methylamino]ethanol
SMILESOCCNCc1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
InChIKeyPWFAZOJNSCGBPM-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylamino]ethanol?
The IUPAC name of 2-[(3-bromophenyl)methylamino]ethanol (CID 2215605) is 2-[(3-bromophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-bromophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3-bromophenyl)methylamino]ethanol is OCCNCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylamino]ethanol?
The InChIKey is PWFAZOJNSCGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2.
What are the key properties of 2-[(3-bromophenyl)methylamino]ethanol?
2-[(3-bromophenyl)methylamino]ethanol has a molecular weight of 230.10 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylamino]ethanol is sourced from PubChem (CID 2215605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).