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

C17H21Cl2NO3 — CID 2960239

IUPAC2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cccc(CNCCO)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C17H20ClNO3.ClH/c1-21-16-8-4-6-13(11-19-9-10-20)17(16)22-12-14-5-2-3-7-15(14)18;/h2-8,19-20H,9-12H2,1H3;1H
InChIKeyQYMPFTHNFADXSB-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.43
Rot. Bonds8

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

2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride (PubChem CID 2960239) has the molecular formula C17H21Cl2NO3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
PubChem CID2960239
Molecular FormulaC17H21Cl2NO3
Molecular Weight358.27 g/mol
Exact Mass357.09
IUPAC Name2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cccc(CNCCO)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C17H20ClNO3.ClH/c1-21-16-8-4-6-13(11-19-9-10-20)17(16)22-12-14-5-2-3-7-15(14)18;/h2-8,19-20H,9-12H2,1H3;1H
InChIKeyQYMPFTHNFADXSB-UHFFFAOYSA-N
XLogP3.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride (CID 2960239) is 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride is COc1cccc(CNCCO)c1OCc1ccccc1Cl.Cl.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
The InChIKey is QYMPFTHNFADXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3.ClH/c1-21-16-8-4-6-13(11-19-9-10-20)17(16)22-12-14-5-2-3-7-15(14)18;/h2-8,19-20H,9-12H2,1H3;1H.
What are the key properties of 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2960239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).