2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol

C17H28N2O — CID 60932267

IUPAC2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NC2CCCCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(12-13-20)16-10-8-15(9-11-16)18-17-7-5-4-6-14(17)2/h8-11,14,17-18,20H,3-7,12-13H2,1-2H3
InChIKeyVPUFJIHMERLUJL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.50
Rot. Bonds6

About 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol

2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol (PubChem CID 60932267) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol
PubChem CID60932267
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NC2CCCCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(12-13-20)16-10-8-15(9-11-16)18-17-7-5-4-6-14(17)2/h8-11,14,17-18,20H,3-7,12-13H2,1-2H3
InChIKeyVPUFJIHMERLUJL-UHFFFAOYSA-N
XLogP3.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol (CID 60932267) is 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol is CCN(CCO)c1ccc(NC2CCCCC2C)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol?
The InChIKey is VPUFJIHMERLUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(12-13-20)16-10-8-15(9-11-16)18-17-7-5-4-6-14(17)2/h8-11,14,17-18,20H,3-7,12-13H2,1-2H3.
What are the key properties of 2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol?
2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 3.50, 6 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-methylcyclohexyl)amino]anilino]ethanol is sourced from PubChem (CID 60932267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).