2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol

C15H19ClN2O2 — CID 60932137

IUPAC2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C15H19ClN2O2/c1-2-18(9-10-19)13-5-3-12(4-6-13)17-11-14-7-8-15(16)20-14/h3-8,17,19H,2,9-11H2,1H3
InChIKeyQQLBOUONKOJSOJ-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.36
Rot. Bonds7

About 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol

2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol (PubChem CID 60932137) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
PubChem CID60932137
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C15H19ClN2O2/c1-2-18(9-10-19)13-5-3-12(4-6-13)17-11-14-7-8-15(16)20-14/h3-8,17,19H,2,9-11H2,1H3
InChIKeyQQLBOUONKOJSOJ-UHFFFAOYSA-N
XLogP3.36
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549
2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
CID 60685335
2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
CID 114555558
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate
CID 103818486
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
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
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 60780224
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol?
The IUPAC name of 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol (CID 60932137) is 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol?
The canonical SMILES for 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol is CCN(CCO)c1ccc(NCc2ccc(Cl)o2)cc1.
What is the InChIKey of 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol?
The InChIKey is QQLBOUONKOJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-18(9-10-19)13-5-3-12(4-6-13)17-11-14-7-8-15(16)20-14/h3-8,17,19H,2,9-11H2,1H3.
What are the key properties of 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol?
2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol has a molecular weight of 294.78 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol is sourced from PubChem (CID 60932137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).