2-[(4-bromophenyl)methylamino]ethanol;hydrochloride

C9H13BrClNO — CID 2950588

IUPAC2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO.ClH/c10-9-3-1-8(2-4-9)7-11-5-6-12;/h1-4,11-12H,5-7H2;1H
InChIKeyPQAQYAXOYVBFDC-UHFFFAOYSA-N
MW266.57 g/mol
LogP1.95
Rot. Bonds4

About 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride

2-[(4-bromophenyl)methylamino]ethanol;hydrochloride (PubChem CID 2950588) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
PubChem CID2950588
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO.ClH/c10-9-3-1-8(2-4-9)7-11-5-6-12;/h1-4,11-12H,5-7H2;1H
InChIKeyPQAQYAXOYVBFDC-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 51.95
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

2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
CID 28684406
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
CID 75355507
3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857699
4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol
CID 28832999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride (CID 2950588) is 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride is Cl.OCCNCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride?
The InChIKey is PQAQYAXOYVBFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c10-9-3-1-8(2-4-9)7-11-5-6-12;/h1-4,11-12H,5-7H2;1H.
What are the key properties of 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride?
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2950588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).