1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine

C16H25NO2 — CID 104748636

IUPAC1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
SMILESCNC(COc1ccc(C)cc1OC)C1CCCC1
InChIInChI=1S/C16H25NO2/c1-12-8-9-15(16(10-12)18-3)19-11-14(17-2)13-6-4-5-7-13/h8-10,13-14,17H,4-7,11H2,1-3H3
InChIKeyQKMUPVYLZJSYHT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine

1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine (PubChem CID 104748636) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
PubChem CID104748636
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
SMILESCNC(COc1ccc(C)cc1OC)C1CCCC1
InChIInChI=1S/C16H25NO2/c1-12-8-9-15(16(10-12)18-3)19-11-14(17-2)13-6-4-5-7-13/h8-10,13-14,17H,4-7,11H2,1-3H3
InChIKeyQKMUPVYLZJSYHT-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 65391424

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine?
The IUPAC name of 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine (CID 104748636) is 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine is CNC(COc1ccc(C)cc1OC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine?
The InChIKey is QKMUPVYLZJSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-9-15(16(10-12)18-3)19-11-14(17-2)13-6-4-5-7-13/h8-10,13-14,17H,4-7,11H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine?
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine is sourced from PubChem (CID 104748636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).