[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol

C14H21NO3 — CID 79646018

IUPAC[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
SMILESCNC1(CO)CCC(Oc2cccc(CO)c2)C1
InChIInChI=1S/C14H21NO3/c1-15-14(10-17)6-5-13(8-14)18-12-4-2-3-11(7-12)9-16/h2-4,7,13,15-17H,5-6,8-10H2,1H3
InChIKeyZUQPHNWUCGUROF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.06
Rot. Bonds5

About [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol

[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol (PubChem CID 79646018) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
PubChem CID79646018
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
SMILESCNC1(CO)CCC(Oc2cccc(CO)c2)C1
InChIInChI=1S/C14H21NO3/c1-15-14(10-17)6-5-13(8-14)18-12-4-2-3-11(7-12)9-16/h2-4,7,13,15-17H,5-6,8-10H2,1H3
InChIKeyZUQPHNWUCGUROF-UHFFFAOYSA-N
XLogP1.06
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(methylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645520
[1-(methylamino)-3-naphthalen-2-yloxycyclopentyl]methanol
CID 79646293
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
CID 79648806
[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol
CID 107745025
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79647984
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79649114
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79648009
(3-cyclopropyloxyphenyl)methanol
CID 57336629
[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
CID 79645784
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287

Frequently Asked Questions

What is the IUPAC name of [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol?
The IUPAC name of [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol (CID 79646018) is [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol.
What is the SMILES notation for [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol?
The canonical SMILES for [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol is CNC1(CO)CCC(Oc2cccc(CO)c2)C1.
What is the InChIKey of [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol?
The InChIKey is ZUQPHNWUCGUROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-14(10-17)6-5-13(8-14)18-12-4-2-3-11(7-12)9-16/h2-4,7,13,15-17H,5-6,8-10H2,1H3.
What are the key properties of [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol?
[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol is sourced from PubChem (CID 79646018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).