2-[(4-bromo-2-chlorophenyl)methylamino]ethanol

C9H11BrClNO — CID 75355507

IUPAC2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO/c10-8-2-1-7(9(11)5-8)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKeyKSSYYEJMTGHFCS-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.18
Rot. Bonds4

About 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol

2-[(4-bromo-2-chlorophenyl)methylamino]ethanol (PubChem CID 75355507) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
PubChem CID75355507
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO/c10-8-2-1-7(9(11)5-8)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKeyKSSYYEJMTGHFCS-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.18
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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Related Compounds

1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
4-[(4-bromo-2-chlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708043
N-[(4-bromo-2-chlorophenyl)methyl]-2-methylsulfanylethanamine
CID 115651408
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106180138
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
N-[(4-bromo-2-chlorophenyl)methyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306137
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115654144
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
(2S)-2-[(4-bromo-2-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 114986509
N-[(4-bromo-2-chlorophenyl)methyl]-2,2-dimethoxyethanamine
CID 115651584
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol (CID 75355507) is 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol is OCCNCc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol?
The InChIKey is KSSYYEJMTGHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c10-8-2-1-7(9(11)5-8)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2.
What are the key properties of 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol?
2-[(4-bromo-2-chlorophenyl)methylamino]ethanol has a molecular weight of 264.55 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)methylamino]ethanol is sourced from PubChem (CID 75355507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).