2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine

C17H27NO — CID 107188088

IUPAC2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(C)ccc1OC)C1CCCC1C
InChIInChI=1S/C17H27NO/c1-12-8-9-17(19-4)14(10-12)11-16(18-3)15-7-5-6-13(15)2/h8-10,13,15-16,18H,5-7,11H2,1-4H3
InChIKeyTXVMLKQLEFLSFH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds5

About 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine

2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107188088) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
PubChem CID107188088
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(C)ccc1OC)C1CCCC1C
InChIInChI=1S/C17H27NO/c1-12-8-9-17(19-4)14(10-12)11-16(18-3)15-7-5-6-13(15)2/h8-10,13,15-16,18H,5-7,11H2,1-4H3
InChIKeyTXVMLKQLEFLSFH-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 65391424
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107179634
[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105292010
2-(2-chlorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179450
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
CID 103168378

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine (CID 107188088) is 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine is CNC(Cc1cc(C)ccc1OC)C1CCCC1C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is TXVMLKQLEFLSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-8-9-17(19-4)14(10-12)11-16(18-3)15-7-5-6-13(15)2/h8-10,13,15-16,18H,5-7,11H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107188088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).