2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride

C18H22Cl3NO3 — CID 2949795

IUPAC2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCCOc1cccc(CNCCO)c1OCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C18H21Cl2NO3.ClH/c1-2-23-17-5-3-4-13(11-21-8-9-22)18(17)24-12-14-6-7-15(19)10-16(14)20;/h3-7,10,21-22H,2,8-9,11-12H2,1H3;1H
InChIKeySFDMHSBRCJJZQW-UHFFFAOYSA-N
MW406.74 g/mol
LogP4.47
Rot. Bonds9

About 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride

2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride (PubChem CID 2949795) has the molecular formula C18H22Cl3NO3 and a molecular weight of 406.74 g/mol. Its IUPAC name is 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride
PubChem CID2949795
Molecular FormulaC18H22Cl3NO3
Molecular Weight406.74 g/mol
Exact Mass405.07
IUPAC Name2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCCOc1cccc(CNCCO)c1OCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C18H21Cl2NO3.ClH/c1-2-23-17-5-3-4-13(11-21-8-9-22)18(17)24-12-14-6-7-15(19)10-16(14)20;/h3-7,10,21-22H,2,8-9,11-12H2,1H3;1H
InChIKeySFDMHSBRCJJZQW-UHFFFAOYSA-N
XLogP4.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 54.47
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-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride (CID 2949795) is 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride is CCOc1cccc(CNCCO)c1OCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride?
The InChIKey is SFDMHSBRCJJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3.ClH/c1-2-23-17-5-3-4-13(11-21-8-9-22)18(17)24-12-14-6-7-15(19)10-16(14)20;/h3-7,10,21-22H,2,8-9,11-12H2,1H3;1H.
What are the key properties of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride?
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride has a molecular weight of 406.74 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2949795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).