4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride

C22H23ClFNO2 — CID 2943134

IUPAC4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride
SMILESCCOc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1.Cl
InChIInChI=1S/C22H22FNO2.ClH/c1-2-25-21-12-10-20(11-13-21)24-15-18-7-3-4-9-22(18)26-16-17-6-5-8-19(23)14-17;/h3-14,24H,2,15-16H2,1H3;1H
InChIKeyMSONGNHIIZFRKZ-UHFFFAOYSA-N
MW387.88 g/mol
LogP5.84
Rot. Bonds8

About 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride

4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride (PubChem CID 2943134) has the molecular formula C22H23ClFNO2 and a molecular weight of 387.88 g/mol. Its IUPAC name is 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride
PubChem CID2943134
Molecular FormulaC22H23ClFNO2
Molecular Weight387.88 g/mol
Exact Mass387.14
IUPAC Name4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride
SMILESCCOc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1.Cl
InChIInChI=1S/C22H22FNO2.ClH/c1-2-25-21-12-10-20(11-13-21)24-15-18-7-3-4-9-22(18)26-16-17-6-5-8-19(23)14-17;/h3-14,24H,2,15-16H2,1H3;1H
InChIKeyMSONGNHIIZFRKZ-UHFFFAOYSA-N
XLogP5.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.88
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CID 11501341
CID 11501341
CID 22690393
CID 22690393
CID 519413
CID 519413
CID 3849761
CID 3849761
CID 53257383
CID 53257383
CID 22692237
CID 22692237
CID 44129620
CID 44129620
CID 3427706
CID 3427706
CID 833990
CID 833990
CID 5123423
CID 5123423
CID 45483466
CID 45483466
CID 45483467
CID 45483467

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride?
The IUPAC name of 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride (CID 2943134) is 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride?
The canonical SMILES for 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride is CCOc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1.Cl.
What is the InChIKey of 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride?
The InChIKey is MSONGNHIIZFRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2.ClH/c1-2-25-21-12-10-20(11-13-21)24-15-18-7-3-4-9-22(18)26-16-17-6-5-8-19(23)14-17;/h3-14,24H,2,15-16H2,1H3;1H.
What are the key properties of 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride?
4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride has a molecular weight of 387.88 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline;hydrochloride is sourced from PubChem (CID 2943134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).