2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol

C14H20F2N2O — CID 107932834

IUPAC2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
SMILESNCc1ccc(N(CCO)C2CCCC2)c(F)c1F
InChIInChI=1S/C14H20F2N2O/c15-13-10(9-17)5-6-12(14(13)16)18(7-8-19)11-3-1-2-4-11/h5-6,11,19H,1-4,7-9,17H2
InChIKeyLQPUXWVDPRWILE-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol

2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol (PubChem CID 107932834) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
PubChem CID107932834
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
SMILESNCc1ccc(N(CCO)C2CCCC2)c(F)c1F
InChIInChI=1S/C14H20F2N2O/c15-13-10(9-17)5-6-12(14(13)16)18(7-8-19)11-3-1-2-4-11/h5-6,11,19H,1-4,7-9,17H2
InChIKeyLQPUXWVDPRWILE-UHFFFAOYSA-N
XLogP2.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol (CID 107932834) is 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol is NCc1ccc(N(CCO)C2CCCC2)c(F)c1F.
What is the InChIKey of 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol?
The InChIKey is LQPUXWVDPRWILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-13-10(9-17)5-6-12(14(13)16)18(7-8-19)11-3-1-2-4-11/h5-6,11,19H,1-4,7-9,17H2.
What are the key properties of 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol?
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol has a molecular weight of 270.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol is sourced from PubChem (CID 107932834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).