N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine

C17H27NO — CID 64998082

IUPACN-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
SMILESCCC1CC(CNCCOC)(c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-15-11-17(12-15,13-18-8-9-19-3)16-7-5-6-14(2)10-16/h5-7,10,15,18H,4,8-9,11-13H2,1-3H3
InChIKeyYXJFTIOKOVPUQL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.29
Rot. Bonds7

About N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine

N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 64998082) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
PubChem CID64998082
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
SMILESCCC1CC(CNCCOC)(c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-15-11-17(12-15,13-18-8-9-19-3)16-7-5-6-14(2)10-16/h5-7,10,15,18H,4,8-9,11-13H2,1-3H3
InChIKeyYXJFTIOKOVPUQL-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine (CID 64998082) is N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine is CCC1CC(CNCCOC)(c2cccc(C)c2)C1.
What is the InChIKey of N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is YXJFTIOKOVPUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-15-11-17(12-15,13-18-8-9-19-3)16-7-5-6-14(2)10-16/h5-7,10,15,18H,4,8-9,11-13H2,1-3H3.
What are the key properties of N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine?
N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 64998082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).