2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol

C23H23Cl2NO3 — CID 146309825

IUPAC2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
SMILESOCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23Cl2NO3/c24-20-6-1-17(2-7-20)15-28-22-10-5-19(14-26-11-12-27)13-23(22)29-16-18-3-8-21(25)9-4-18/h1-10,13,26-27H,11-12,14-16H2
InChIKeyZLOFYLYUEIUYBB-UHFFFAOYSA-N
MW432.35 g/mol
LogP5.23
Rot. Bonds10

About 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol

2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol (PubChem CID 146309825) has the molecular formula C23H23Cl2NO3 and a molecular weight of 432.35 g/mol. Its IUPAC name is 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
PubChem CID146309825
Molecular FormulaC23H23Cl2NO3
Molecular Weight432.35 g/mol
Exact Mass431.11
IUPAC Name2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
SMILESOCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23Cl2NO3/c24-20-6-1-17(2-7-20)15-28-22-10-5-19(14-26-11-12-27)13-23(22)29-16-18-3-8-21(25)9-4-18/h1-10,13,26-27H,11-12,14-16H2
InChIKeyZLOFYLYUEIUYBB-UHFFFAOYSA-N
XLogP5.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.23
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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Related Compounds

2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-1-amine
CID 4722560
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine
CID 4722733
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294947
2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
CID 4719844
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331216
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720435
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 4718391
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294648
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]ethanol
CID 17157109
2-[3-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214027

Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol (CID 146309825) is 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol is OCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
The InChIKey is ZLOFYLYUEIUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO3/c24-20-6-1-17(2-7-20)15-28-22-10-5-19(14-26-11-12-27)13-23(22)29-16-18-3-8-21(25)9-4-18/h1-10,13,26-27H,11-12,14-16H2.
What are the key properties of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol has a molecular weight of 432.35 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 146309825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).