4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol

C15H21F2NO — CID 167888620

IUPAC4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol
SMILESCCC1CCC(NCCc2c(F)cc(O)cc2F)C1
InChIInChI=1S/C15H21F2NO/c1-2-10-3-4-11(7-10)18-6-5-13-14(16)8-12(19)9-15(13)17/h8-11,18-19H,2-7H2,1H3
InChIKeyUMNIJMVBZCZXJQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.38
Rot. Bonds5

About 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol

4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol (PubChem CID 167888620) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol
PubChem CID167888620
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol
SMILESCCC1CCC(NCCc2c(F)cc(O)cc2F)C1
InChIInChI=1S/C15H21F2NO/c1-2-10-3-4-11(7-10)18-6-5-13-14(16)8-12(19)9-15(13)17/h8-11,18-19H,2-7H2,1H3
InChIKeyUMNIJMVBZCZXJQ-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol?
The IUPAC name of 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol (CID 167888620) is 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol.
What is the SMILES notation for 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol?
The canonical SMILES for 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol is CCC1CCC(NCCc2c(F)cc(O)cc2F)C1.
What is the InChIKey of 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol?
The InChIKey is UMNIJMVBZCZXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-10-3-4-11(7-10)18-6-5-13-14(16)8-12(19)9-15(13)17/h8-11,18-19H,2-7H2,1H3.
What are the key properties of 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol?
4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol has a molecular weight of 269.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-ethylcyclopentyl)amino]ethyl]-3,5-difluorophenol is sourced from PubChem (CID 167888620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).