[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol

C16H25NO2 — CID 79581783

IUPAC[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol
SMILESCCc1ccccc1OCCC1CCCC1(N)CO
InChIInChI=1S/C16H25NO2/c1-2-13-6-3-4-8-15(13)19-11-9-14-7-5-10-16(14,17)12-18/h3-4,6,8,14,18H,2,5,7,9-12,17H2,1H3
InChIKeyBCRUUVIINUKSKH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.51
Rot. Bonds6

About [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol (PubChem CID 79581783) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol
PubChem CID79581783
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol
SMILESCCc1ccccc1OCCC1CCCC1(N)CO
InChIInChI=1S/C16H25NO2/c1-2-13-6-3-4-8-15(13)19-11-9-14-7-5-10-16(14,17)12-18/h3-4,6,8,14,18H,2,5,7,9-12,17H2,1H3
InChIKeyBCRUUVIINUKSKH-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol (CID 79581783) is [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol is CCc1ccccc1OCCC1CCCC1(N)CO.
What is the InChIKey of [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol?
The InChIKey is BCRUUVIINUKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-13-6-3-4-8-15(13)19-11-9-14-7-5-10-16(14,17)12-18/h3-4,6,8,14,18H,2,5,7,9-12,17H2,1H3.
What are the key properties of [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).