2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol

C15H24N2O2 — CID 54866203

IUPAC2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol
SMILESCCN(CCO)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-17(9-10-18)15-5-3-13(4-6-15)16-14-7-11-19-12-8-14/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyULDGBZGCYOSFGV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds6

About 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol

2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol (PubChem CID 54866203) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol
PubChem CID54866203
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol
SMILESCCN(CCO)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-17(9-10-18)15-5-3-13(4-6-15)16-14-7-11-19-12-8-14/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyULDGBZGCYOSFGV-UHFFFAOYSA-N
XLogP2.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
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

2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol
CID 60932267
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol (CID 54866203) is 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol is CCN(CCO)c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol?
The InChIKey is ULDGBZGCYOSFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-17(9-10-18)15-5-3-13(4-6-15)16-14-7-11-19-12-8-14/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol?
2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol is sourced from PubChem (CID 54866203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).