2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol

C19H24Cl2N2O3 — CID 66537211

IUPAC2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
SMILESCOc1cc(CNCCNCCO)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C19H24Cl2N2O3/c1-25-18-10-15(12-23-7-6-22-8-9-24)17(21)11-19(18)26-13-14-4-2-3-5-16(14)20/h2-5,10-11,22-24H,6-9,12-13H2,1H3
InChIKeyLCIDPRBEJYEQEI-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.25
Rot. Bonds11

About 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol

2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol (PubChem CID 66537211) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
PubChem CID66537211
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Name2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
SMILESCOc1cc(CNCCNCCO)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C19H24Cl2N2O3/c1-25-18-10-15(12-23-7-6-22-8-9-24)17(21)11-19(18)26-13-14-4-2-3-5-16(14)20/h2-5,10-11,22-24H,6-9,12-13H2,1H3
InChIKeyLCIDPRBEJYEQEI-UHFFFAOYSA-N
XLogP3.25
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537265
2-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537733
2-[3-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol
CID 66537743
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537637
2-[3-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 66537729
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66531260
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol
CID 2215596
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2960435
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 66534294
N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine
CID 66530240
2-[3-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propylamino]ethanol
CID 66537534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol (CID 66537211) is 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol is COc1cc(CNCCNCCO)c(Cl)cc1OCc1ccccc1Cl.
What is the InChIKey of 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol?
The InChIKey is LCIDPRBEJYEQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O3/c1-25-18-10-15(12-23-7-6-22-8-9-24)17(21)11-19(18)26-13-14-4-2-3-5-16(14)20/h2-5,10-11,22-24H,6-9,12-13H2,1H3.
What are the key properties of 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol?
2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol has a molecular weight of 399.32 g/mol, XLogP of 3.25, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol is sourced from PubChem (CID 66537211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).