2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine

C15H25NO2 — CID 154545214

IUPAC2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine
SMILESCOC1=CC=C(CCN)CC1(C)OC1CCCC1
InChIInChI=1S/C15H25NO2/c1-15(18-13-5-3-4-6-13)11-12(9-10-16)7-8-14(15)17-2/h7-8,13H,3-6,9-11,16H2,1-2H3
InChIKeyWZQIPAAEYGWKNP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.91
Rot. Bonds5

About 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine

2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine (PubChem CID 154545214) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine
PubChem CID154545214
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine
SMILESCOC1=CC=C(CCN)CC1(C)OC1CCCC1
InChIInChI=1S/C15H25NO2/c1-15(18-13-5-3-4-6-13)11-12(9-10-16)7-8-14(15)17-2/h7-8,13H,3-6,9-11,16H2,1-2H3
InChIKeyWZQIPAAEYGWKNP-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The IUPAC name of 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine (CID 154545214) is 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The canonical SMILES for 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine is COC1=CC=C(CCN)CC1(C)OC1CCCC1.
What is the InChIKey of 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The InChIKey is WZQIPAAEYGWKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(18-13-5-3-4-6-13)11-12(9-10-16)7-8-14(15)17-2/h7-8,13H,3-6,9-11,16H2,1-2H3.
What are the key properties of 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyloxy-4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 154545214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).