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

C17H21FN2O — CID 60685335

IUPAC2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2O/c1-2-20(11-12-21)16-9-7-15(8-10-16)19-13-14-5-3-4-6-17(14)18/h3-10,19,21H,2,11-13H2,1H3
InChIKeyDBPDJDFYQNUUQX-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.26
Rot. Bonds7

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

2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol (PubChem CID 60685335) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
PubChem CID60685335
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2O/c1-2-20(11-12-21)16-9-7-15(8-10-16)19-13-14-5-3-4-6-17(14)18/h3-10,19,21H,2,11-13H2,1H3
InChIKeyDBPDJDFYQNUUQX-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-[(3-fluorophenyl)methylamino]anilino]ethanol
CID 60685363
2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol
CID 62743285
2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
CID 60932137
4-N-[4-(diethylamino)phenyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891323
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
2-[[4-(diethylamino)anilino]methyl]-6-methylphenol
CID 115904064
2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
CID 114555558
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol (CID 60685335) is 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol is CCN(CCO)c1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol?
The InChIKey is DBPDJDFYQNUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-2-20(11-12-21)16-9-7-15(8-10-16)19-13-14-5-3-4-6-17(14)18/h3-10,19,21H,2,11-13H2,1H3.
What are the key properties of 2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol?
2-[N-ethyl-4-[(2-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-[(2-fluorophenyl)methylamino]anilino]ethanol is sourced from PubChem (CID 60685335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).