[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol

C14H19F2NO2 — CID 79581784

IUPAC[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCOc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c15-12-4-3-11(8-13(12)16)19-7-5-10-2-1-6-14(10,17)9-18/h3-4,8,10,18H,1-2,5-7,9,17H2
InChIKeyZBBSJNBQCMHSAE-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.22
Rot. Bonds5

About [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol (PubChem CID 79581784) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
PubChem CID79581784
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCOc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c15-12-4-3-11(8-13(12)16)19-7-5-10-2-1-6-14(10,17)9-18/h3-4,8,10,18H,1-2,5-7,9,17H2
InChIKeyZBBSJNBQCMHSAE-UHFFFAOYSA-N
XLogP2.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol
CID 79587037
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
CID 79570899
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 79587219
1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79588085
[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol
CID 71018256
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581199
[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 114342765
4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67180774
1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
CID 111806172
methyl 1-amino-2-[2-(3,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79587544

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol (CID 79581784) is [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol is NC1(CO)CCCC1CCOc1ccc(F)c(F)c1.
What is the InChIKey of [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol?
The InChIKey is ZBBSJNBQCMHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-12-4-3-11(8-13(12)16)19-7-5-10-2-1-6-14(10,17)9-18/h3-4,8,10,18H,1-2,5-7,9,17H2.
What are the key properties of [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol has a molecular weight of 271.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).