2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride

C16H19BrClNO — CID 2845478

IUPAC2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
SMILESCl.OCCN(Cc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO.ClH/c17-16-8-6-15(7-9-16)13-18(10-11-19)12-14-4-2-1-3-5-14;/h1-9,19H,10-13H2;1H
InChIKeyMJGXGYYGINXLTR-UHFFFAOYSA-N
MW356.69 g/mol
LogP3.87
Rot. Bonds6

About 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride

2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride (PubChem CID 2845478) has the molecular formula C16H19BrClNO and a molecular weight of 356.69 g/mol. Its IUPAC name is 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
PubChem CID2845478
Molecular FormulaC16H19BrClNO
Molecular Weight356.69 g/mol
Exact Mass355.03
IUPAC Name2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
SMILESCl.OCCN(Cc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO.ClH/c17-16-8-6-15(7-9-16)13-18(10-11-19)12-14-4-2-1-3-5-14;/h1-9,19H,10-13H2;1H
InChIKeyMJGXGYYGINXLTR-UHFFFAOYSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.69
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
4-[[benzyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 62116338
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
CID 62115476
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride (CID 2845478) is 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride is Cl.OCCN(Cc1ccccc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride?
The InChIKey is MJGXGYYGINXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO.ClH/c17-16-8-6-15(7-9-16)13-18(10-11-19)12-14-4-2-1-3-5-14;/h1-9,19H,10-13H2;1H.
What are the key properties of 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride?
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride has a molecular weight of 356.69 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride is sourced from PubChem (CID 2845478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).