2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine

C16H25NO — CID 65413547

IUPAC2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)C1CCC(C)C1
InChIInChI=1S/C16H25NO/c1-11-4-6-13(8-11)15(17)10-14-9-12(2)5-7-16(14)18-3/h5,7,9,11,13,15H,4,6,8,10,17H2,1-3H3
InChIKeyWPFLKEDRNZFNST-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine

2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine (PubChem CID 65413547) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
PubChem CID65413547
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)C1CCC(C)C1
InChIInChI=1S/C16H25NO/c1-11-4-6-13(8-11)15(17)10-14-9-12(2)5-7-16(14)18-3/h5,7,9,11,13,15H,4,6,8,10,17H2,1-3H3
InChIKeyWPFLKEDRNZFNST-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387
2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826565
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 115781398
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine (CID 65413547) is 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine is COc1ccc(C)cc1CC(N)C1CCC(C)C1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine?
The InChIKey is WPFLKEDRNZFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-4-6-13(8-11)15(17)10-14-9-12(2)5-7-16(14)18-3/h5,7,9,11,13,15H,4,6,8,10,17H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine?
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.31, 4 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)-1-(3-methylcyclopentyl)ethanamine is sourced from PubChem (CID 65413547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).