2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol

C17H21FN2O — CID 60685363

IUPAC2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H21FN2O/c1-2-20(10-11-21)17-8-6-16(7-9-17)19-13-14-4-3-5-15(18)12-14/h3-9,12,19,21H,2,10-11,13H2,1H3
InChIKeySGRSDFYRUAWERW-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.26
Rot. Bonds7

About 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol

2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol (PubChem CID 60685363) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
PubChem CID60685363
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H21FN2O/c1-2-20(10-11-21)17-8-6-16(7-9-17)19-13-14-4-3-5-15(18)12-14/h3-9,12,19,21H,2,10-11,13H2,1H3
InChIKeySGRSDFYRUAWERW-UHFFFAOYSA-N
XLogP3.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
CID 60685335
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
CID 62120225
2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
CID 60932137
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000132

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol (CID 60685363) is 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol is CCN(CCO)c1ccc(NCc2cccc(F)c2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol?
The InChIKey is SGRSDFYRUAWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-2-20(10-11-21)17-8-6-16(7-9-17)19-13-14-4-3-5-15(18)12-14/h3-9,12,19,21H,2,10-11,13H2,1H3.
What are the key properties of 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol?
2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol has a molecular weight of 288.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol is sourced from PubChem (CID 60685363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).