2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride

C16H19Cl2NO2 — CID 2951095

IUPAC2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO2.ClH/c17-15-6-4-13(5-7-15)12-20-16-3-1-2-14(10-16)11-18-8-9-19;/h1-7,10,18-19H,8-9,11-12H2;1H
InChIKeyYQWGKQQFLAQDSH-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.42
Rot. Bonds7

About 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride

2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride (PubChem CID 2951095) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
PubChem CID2951095
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO2.ClH/c17-15-6-4-13(5-7-15)12-20-16-3-1-2-14(10-16)11-18-8-9-19;/h1-7,10,18-19H,8-9,11-12H2;1H
InChIKeyYQWGKQQFLAQDSH-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride (CID 2951095) is 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride is Cl.OCCNCc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
The InChIKey is YQWGKQQFLAQDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2.ClH/c17-15-6-4-13(5-7-15)12-20-16-3-1-2-14(10-16)11-18-8-9-19;/h1-7,10,18-19H,8-9,11-12H2;1H.
What are the key properties of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2951095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).