2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride

C20H21Cl2NO2 — CID 17155105

IUPAC2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C20H20ClNO2.ClH/c21-17-8-5-15(6-9-17)14-24-20-10-7-16-3-1-2-4-18(16)19(20)13-22-11-12-23;/h1-10,22-23H,11-14H2;1H
InChIKeyGPQNPMQNQAFDGX-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.58
Rot. Bonds7

About 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride

2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride (PubChem CID 17155105) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride
PubChem CID17155105
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C20H20ClNO2.ClH/c21-17-8-5-15(6-9-17)14-24-20-10-7-16-3-1-2-4-18(16)19(20)13-22-11-12-23;/h1-10,22-23H,11-14H2;1H
InChIKeyGPQNPMQNQAFDGX-UHFFFAOYSA-N
XLogP4.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride (CID 17155105) is 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride is Cl.OCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride?
The InChIKey is GPQNPMQNQAFDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2.ClH/c21-17-8-5-15(6-9-17)14-24-20-10-7-16-3-1-2-4-18(16)19(20)13-22-11-12-23;/h1-10,22-23H,11-14H2;1H.
What are the key properties of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride?
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride has a molecular weight of 378.30 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 17155105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).