2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol

C18H21ClFNO3 — CID 2200261

IUPAC2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol
SMILESCCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C18H21ClFNO3/c1-2-23-17-10-14(11-21-7-8-22)9-16(19)18(17)24-12-13-3-5-15(20)6-4-13/h3-6,9-10,21-22H,2,7-8,11-12H2,1H3
InChIKeyZZYCONDCTPBVQF-UHFFFAOYSA-N
MW353.82 g/mol
LogP3.54
Rot. Bonds9

About 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol

2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol (PubChem CID 2200261) has the molecular formula C18H21ClFNO3 and a molecular weight of 353.82 g/mol. Its IUPAC name is 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol
PubChem CID2200261
Molecular FormulaC18H21ClFNO3
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol
SMILESCCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C18H21ClFNO3/c1-2-23-17-10-14(11-21-7-8-22)9-16(19)18(17)24-12-13-3-5-15(20)6-4-13/h3-6,9-10,21-22H,2,7-8,11-12H2,1H3
InChIKeyZZYCONDCTPBVQF-UHFFFAOYSA-N
XLogP3.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 53.54
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

N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716543
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17293039
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718644
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208514
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 17215065
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17331251
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720819
2-[3-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214144
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17290637
N',N'-dibutyl-N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214593
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293006
2-[3-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214142

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol (CID 2200261) is 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol is CCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol?
The InChIKey is ZZYCONDCTPBVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO3/c1-2-23-17-10-14(11-21-7-8-22)9-16(19)18(17)24-12-13-3-5-15(20)6-4-13/h3-6,9-10,21-22H,2,7-8,11-12H2,1H3.
What are the key properties of 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol?
2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol has a molecular weight of 353.82 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 2200261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).