2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol

C14H21NO3 — CID 60877757

IUPAC2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
SMILESCCOc1cccc(CN)c1OC1CCCC1O
InChIInChI=1S/C14H21NO3/c1-2-17-13-8-3-5-10(9-15)14(13)18-12-7-4-6-11(12)16/h3,5,8,11-12,16H,2,4,6-7,9,15H2,1H3
InChIKeyPXDCISMAIUCHEE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol

2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol (PubChem CID 60877757) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
PubChem CID60877757
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
SMILESCCOc1cccc(CN)c1OC1CCCC1O
InChIInChI=1S/C14H21NO3/c1-2-17-13-8-3-5-10(9-15)14(13)18-12-7-4-6-11(12)16/h3,5,8,11-12,16H,2,4,6-7,9,15H2,1H3
InChIKeyPXDCISMAIUCHEE-UHFFFAOYSA-N
XLogP1.84
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60887933
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol (CID 60877757) is 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol is CCOc1cccc(CN)c1OC1CCCC1O.
What is the InChIKey of 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol?
The InChIKey is PXDCISMAIUCHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-17-13-8-3-5-10(9-15)14(13)18-12-7-4-6-11(12)16/h3,5,8,11-12,16H,2,4,6-7,9,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol?
2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60877757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).