2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol

C15H22F2N2O — CID 63076112

IUPAC2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1cc(F)c(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-18-10-11-8-13(16)15(14(17)9-11)19(6-7-20)12-4-2-3-5-12/h8-9,12,18,20H,2-7,10H2,1H3
InChIKeyDPTIXQHGKOTMGY-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.43
Rot. Bonds6

About 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol

2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol (PubChem CID 63076112) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol
PubChem CID63076112
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1cc(F)c(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-18-10-11-8-13(16)15(14(17)9-11)19(6-7-20)12-4-2-3-5-12/h8-9,12,18,20H,2-7,10H2,1H3
InChIKeyDPTIXQHGKOTMGY-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol (CID 63076112) is 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol is CNCc1cc(F)c(N(CCO)C2CCCC2)c(F)c1.
What is the InChIKey of 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is DPTIXQHGKOTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-18-10-11-8-13(16)15(14(17)9-11)19(6-7-20)12-4-2-3-5-12/h8-9,12,18,20H,2-7,10H2,1H3.
What are the key properties of 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol?
2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 284.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 63076112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).