[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol

C16H23F2NO — CID 79069796

IUPAC[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol
SMILESCCN(CC)C1(C(O)c2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C16H23F2NO/c1-3-19(4-2)16(9-5-6-10-16)15(20)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10H2,1-2H3
InChIKeyYXBFKPDVGDVTIU-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.65
Rot. Bonds5

About [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol

[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol (PubChem CID 79069796) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol
PubChem CID79069796
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol
SMILESCCN(CC)C1(C(O)c2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C16H23F2NO/c1-3-19(4-2)16(9-5-6-10-16)15(20)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10H2,1-2H3
InChIKeyYXBFKPDVGDVTIU-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
Fepradinol
CID 68819
Methylephedrine, (+)-
CID 102023
2-(tert-Butylamino)-1-phenylethanol
CID 533905

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol?
The IUPAC name of [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol (CID 79069796) is [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol.
What is the SMILES notation for [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol?
The canonical SMILES for [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol is CCN(CC)C1(C(O)c2ccc(F)c(F)c2)CCCC1.
What is the InChIKey of [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol?
The InChIKey is YXBFKPDVGDVTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-19(4-2)16(9-5-6-10-16)15(20)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10H2,1-2H3.
What are the key properties of [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol?
[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol has a molecular weight of 283.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 79069796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).